 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_wB97XD-augccpVDZr.in
 Output=27_methylindane_Chair_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/27_methylindane_Chair_STD/Gau-43529.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43530.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Chair_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 23:50:41 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 23:50:42 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Thu Jul  8 23:50:42 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0142436586 Hartrees.
 Nuclear repulsion after empirical dispersion term =      505.9728505916 Hartrees.
 Leave Link  301 at Thu Jul  8 23:50:44 2021, MaxMem= 10737418240 cpu:              34.3 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.49D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul  8 23:50:45 2021, MaxMem= 10737418240 cpu:               8.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 23:50:46 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 23:50:47 2021, MaxMem= 10737418240 cpu:               8.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737152694 LenY= 10737024089
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.213336831634    
 DIIS: error= 1.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.213336831634     IErMin= 1 ErrMin= 1.82D-03
 ErrMax= 1.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-03 BMatP= 4.16D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 GapD=    0.367 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.04D-02 MaxDP=3.68D+00              OVMax= 1.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.01D-02    CP:  1.58D+00
 E= -388.216554659906     Delta-E=       -0.003217828272 Rises=F Damp=F
 DIIS: error= 1.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.216554659906     IErMin= 2 ErrMin= 1.78D-04
 ErrMax= 1.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-05 BMatP= 4.16D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.78D-03
 Coeff-Com: -0.548D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.547D-01 0.105D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.36D-03 MaxDP=6.30D-01 DE=-3.22D-03 OVMax= 2.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.43D-03    CP:  1.67D+00  1.16D+00
 E= -388.216634091074     Delta-E=       -0.000079431168 Rises=F Damp=F
 DIIS: error= 8.89D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.216634091074     IErMin= 3 ErrMin= 8.89D-05
 ErrMax= 8.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-06 BMatP= 4.64D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-01 0.247D+00 0.773D+00
 Coeff:     -0.201D-01 0.247D+00 0.773D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.74D-04 MaxDP=4.12D-02 DE=-7.94D-05 OVMax= 6.83D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.68D+00  1.17D+00  1.10D+00
 E= -388.216641405072     Delta-E=       -0.000007313998 Rises=F Damp=F
 DIIS: error= 4.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.216641405072     IErMin= 4 ErrMin= 4.15D-05
 ErrMax= 4.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-06 BMatP= 7.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.310D-03-0.502D-01 0.254D+00 0.797D+00
 Coeff:     -0.310D-03-0.502D-01 0.254D+00 0.797D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.93D-04 MaxDP=1.47D-02 DE=-7.31D-06 OVMax= 4.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.29D-05    CP:  1.68D+00  1.18D+00  1.14D+00  1.03D+00
 E= -388.216642975457     Delta-E=       -0.000001570385 Rises=F Damp=F
 DIIS: error= 1.57D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.216642975457     IErMin= 5 ErrMin= 1.57D-05
 ErrMax= 1.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-07 BMatP= 1.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-02-0.385D-01 0.292D-01 0.300D+00 0.707D+00
 Coeff:      0.160D-02-0.385D-01 0.292D-01 0.300D+00 0.707D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.40D-05 MaxDP=1.23D-03 DE=-1.57D-06 OVMax= 1.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.68D+00  1.18D+00  1.14D+00  1.14D+00  9.39D-01
 E= -388.216643128057     Delta-E=       -0.000000152599 Rises=F Damp=F
 DIIS: error= 5.01D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.216643128057     IErMin= 6 ErrMin= 5.01D-06
 ErrMax= 5.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-08 BMatP= 1.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.566D-03-0.897D-02-0.122D-01 0.453D-01 0.287D+00 0.688D+00
 Coeff:      0.566D-03-0.897D-02-0.122D-01 0.453D-01 0.287D+00 0.688D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=1.08D-03 DE=-1.53D-07 OVMax= 7.32D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.22D-06    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.66D-01
                    CP:  9.97D-01
 E= -388.216643149599     Delta-E=       -0.000000021542 Rises=F Damp=F
 DIIS: error= 1.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.216643149599     IErMin= 7 ErrMin= 1.23D-06
 ErrMax= 1.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-09 BMatP= 1.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.319D-04 0.190D-02-0.639D-02-0.217D-01-0.236D-01 0.152D+00
 Coeff-Com:  0.898D+00
 Coeff:     -0.319D-04 0.190D-02-0.639D-02-0.217D-01-0.236D-01 0.152D+00
 Coeff:      0.898D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.54D-06 MaxDP=6.63D-04 DE=-2.15D-08 OVMax= 2.09D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.73D-01
                    CP:  1.06D+00  1.17D+00
 E= -388.216643151507     Delta-E=       -0.000000001908 Rises=F Damp=F
 DIIS: error= 4.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.216643151507     IErMin= 8 ErrMin= 4.67D-07
 ErrMax= 4.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-10 BMatP= 1.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.706D-04 0.165D-02-0.157D-02-0.134D-01-0.423D-01-0.696D-02
 Coeff-Com:  0.368D+00 0.695D+00
 Coeff:     -0.706D-04 0.165D-02-0.157D-02-0.134D-01-0.423D-01-0.696D-02
 Coeff:      0.368D+00 0.695D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.56D-06 MaxDP=1.18D-04 DE=-1.91D-09 OVMax= 9.70D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.83D-07    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.75D-01
                    CP:  1.07D+00  1.20D+00  1.05D+00
 E= -388.216643151846     Delta-E=       -0.000000000339 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.216643151846     IErMin= 9 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.63D-12 BMatP= 1.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.387D-06-0.118D-03 0.464D-03 0.206D-02-0.549D-04-0.115D-01
 Coeff-Com: -0.796D-01 0.293D-01 0.106D+01
 Coeff:      0.387D-06-0.118D-03 0.464D-03 0.206D-02-0.549D-04-0.115D-01
 Coeff:     -0.796D-01 0.293D-01 0.106D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.75D-07 MaxDP=2.10D-05 DE=-3.39D-10 OVMax= 4.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.15D-07    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.74D-01
                    CP:  1.07D+00  1.22D+00  1.13D+00  1.10D+00
 E= -388.216643151825     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 4.92D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -388.216643151846     IErMin=10 ErrMin= 4.92D-08
 ErrMax= 4.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-12 BMatP= 8.63D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-05-0.195D-03 0.255D-03 0.193D-02 0.421D-02-0.118D-02
 Coeff-Com: -0.555D-01-0.599D-01 0.250D+00 0.861D+00
 Coeff:      0.723D-05-0.195D-03 0.255D-03 0.193D-02 0.421D-02-0.118D-02
 Coeff:     -0.555D-01-0.599D-01 0.250D+00 0.861D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.56D-07 MaxDP=1.11D-05 DE= 2.06D-11 OVMax= 1.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.88D-08    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.73D-01
                    CP:  1.07D+00  1.22D+00  1.13D+00  1.11D+00  1.12D+00
 E= -388.216643151847     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.77D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -388.216643151847     IErMin=11 ErrMin= 2.77D-08
 ErrMax= 2.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-13 BMatP= 1.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-05-0.300D-04-0.273D-04 0.103D-03 0.107D-02 0.181D-02
 Coeff-Com: -0.518D-03-0.220D-01-0.124D+00 0.168D+00 0.976D+00
 Coeff:      0.182D-05-0.300D-04-0.273D-04 0.103D-03 0.107D-02 0.181D-02
 Coeff:     -0.518D-03-0.220D-01-0.124D+00 0.168D+00 0.976D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.35D-08 MaxDP=2.86D-06 DE=-2.14D-11 OVMax= 8.70D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.72D-08    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.73D-01
                    CP:  1.07D+00  1.21D+00  1.12D+00  1.11D+00  1.20D+00
                    CP:  1.15D+00
 E= -388.216643151859     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 8.72D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -388.216643151859     IErMin=12 ErrMin= 8.72D-09
 ErrMax= 8.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-14 BMatP= 2.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-05 0.332D-04-0.573D-04-0.371D-03-0.567D-03 0.771D-03
 Coeff-Com:  0.115D-01 0.633D-02-0.790D-01-0.149D+00 0.274D+00 0.936D+00
 Coeff:     -0.103D-05 0.332D-04-0.573D-04-0.371D-03-0.567D-03 0.771D-03
 Coeff:      0.115D-01 0.633D-02-0.790D-01-0.149D+00 0.274D+00 0.936D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.51D-08 MaxDP=8.33D-07 DE=-1.18D-11 OVMax= 3.68D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.26D-09    CP:  1.68D+00  1.17D+00  1.14D+00  1.15D+00  9.73D-01
                    CP:  1.07D+00  1.21D+00  1.12D+00  1.10D+00  1.19D+00
                    CP:  1.28D+00  1.17D+00
 E= -388.216643151814     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 3.31D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -388.216643151859     IErMin=13 ErrMin= 3.31D-09
 ErrMax= 3.31D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.26D-15 BMatP= 4.42D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.587D-06 0.164D-04-0.210D-04-0.163D-03-0.324D-03 0.139D-03
 Coeff-Com:  0.477D-02 0.442D-02-0.196D-01-0.795D-01 0.242D-01 0.394D+00
 Coeff-Com:  0.672D+00
 Coeff:     -0.587D-06 0.164D-04-0.210D-04-0.163D-03-0.324D-03 0.139D-03
 Coeff:      0.477D-02 0.442D-02-0.196D-01-0.795D-01 0.242D-01 0.394D+00
 Coeff:      0.672D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.64D-09 MaxDP=4.05D-07 DE= 4.42D-11 OVMax= 7.32D-08

 SCF Done:  E(RwB97XD) =  -388.216643152     A.U. after   13 cycles
            NFock= 13  Conv=0.66D-08     -V/T= 2.0062
 KE= 3.858324277392D+02 PE=-1.911139601638D+03 EE= 6.311176801555D+02
 Leave Link  502 at Thu Jul  8 23:54:16 2021, MaxMem= 10737418240 cpu:            3336.5 elap:             208.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.14408347D+03

 Leave Link  801 at Thu Jul  8 23:54:17 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 3.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 2.03D-01 5.69D-02.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 3.89D-02 5.04D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 3.31D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 4.24D-04 3.77D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 2.51D-05 8.27D-04.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 6.28D-07 1.36D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 1.59D-08 1.43D-05.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 3.77D-10 2.76D-06.
      9 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 8.90D-12 4.97D-07.
      7 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 1.83D-13 5.86D-08.
      2 vectors produced by pass 11 Test12= 1.81D-13 8.33D-09 XBig12= 1.56D-14 1.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146655D+03
      2  0.168329D+01  0.124780D+03
      3 -0.233682D+01  0.515670D+01  0.845431D+02
 Isotropic polarizability for W=    0.085645      118.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.826576D+02 -0.120292D+02  0.796706D+01
      2   0.391123D+02  0.464789D+01 -0.545080D+01
      3   0.435454D+02  0.738132D+01 -0.251625D+01
      4  -0.212809D+02 -0.389894D+02 -0.305728D+02
      5   0.211581D+02 -0.308406D+02  0.323452D+02
      6  -0.135230D+02  0.692607D+01 -0.297608D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.292471D+01 -0.230701D+01  0.283697D+01
      2   0.100209D+02 -0.143232D+02  0.111994D+02
      3   0.142267D+01  0.343663D+02  0.115240D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.267809D+00  0.123769D+02  0.103574D+02
      2  -0.131911D+02 -0.170498D+02 -0.112002D+02
      3  -0.925170D+01  0.781016D+02  0.173176D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.146655D+01 -0.203024D+01 -0.926696D+00
      2  -0.203024D+01  0.296190D+01 -0.302875D+01
      3  -0.926696D+00 -0.302875D+01 -0.136984D+01
 OR G Eigenvalues:    -4.1661    -0.5507     4.8423  Iso=    -0.0418
 Eigenvectors:
   (1)   0.574744   0.453219   0.681367
   (2)   0.786156  -0.074609  -0.613508
   (3)  -0.227217   0.888271  -0.399182
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0418 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =      -15.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 2.06D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.26D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 2.46D-02 2.69D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 1.21D-03 5.73D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 1.94D-05 8.59D-04.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 4.68D-07 8.48D-05.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 7.49D-09 1.22D-05.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 6.98D-11 8.16D-07.
     30 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 4.85D-13 6.06D-08.
      8 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 5.59D-15 7.46D-09.
      3 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 1.18D-15 3.00D-09.
      1 vectors produced by pass 10 Test12= 3.02D-14 2.78D-09 XBig12= 4.67D-16 2.90D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 5.43D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 5.43D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.18D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146655D+03  0.168329D+01 -0.233682D+01
      2   0.168329D+01  0.124780D+03  0.515670D+01
      3  -0.233682D+01  0.515670D+01  0.845431D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.292471D+01 -0.230701D+01  0.283697D+01
      2   0.100209D+02 -0.143232D+02  0.111994D+02
      3   0.142267D+01  0.343663D+02  0.115240D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.826576D+02 -0.120292D+02  0.796706D+01
      2   0.391123D+02  0.464789D+01 -0.545080D+01
      3   0.435454D+02  0.738132D+01 -0.251625D+01
      4  -0.212809D+02 -0.389894D+02 -0.305728D+02
      5   0.211581D+02 -0.308406D+02  0.323452D+02
      6  -0.135230D+02  0.692607D+01 -0.297608D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116399D+01 -0.171471D+01 -0.736224D+00 -0.545430D+01  0.237770D+00
      2  -0.171471D+01 -0.295170D+01 -0.748689D+00  0.237770D+00 -0.236277D+01
      3  -0.736224D+00 -0.748689D+00 -0.239612D+01  0.114258D+01  0.106560D+01
                 6             7             8             9            10 
      1   0.114258D+01 -0.183361D+01  0.732758D+00 -0.399774D+01 -0.525224D+01
      2   0.106560D+01  0.732758D+00  0.142711D+01 -0.318685D+01  0.149212D+01
      3  -0.223750D+01 -0.399774D+01 -0.318685D+01 -0.968770D+00 -0.447683D+00
                11            12            13            14            15 
      1   0.149212D+01 -0.447683D+00  0.273339D+01  0.204087D+01  0.136354D+01
      2  -0.290408D+01  0.182554D-02  0.204087D+01  0.186066D+01 -0.718897D+00
      3   0.182554D-02 -0.294306D+01  0.136354D+01 -0.718897D+00  0.686616D+00
                16            17            18            19            20 
      1   0.163104D+00  0.150218D+01 -0.516487D+01 -0.101254D+01  0.404965D+01
      2   0.150218D+01  0.266971D+00  0.113558D+01  0.404965D+01  0.149091D+01
      3  -0.516487D+01  0.113558D+01  0.182830D+01  0.622442D+00 -0.308728D+00
                21            22            23            24            25 
      1   0.622442D+00 -0.540273D+01  0.728911D+00 -0.137620D+00 -0.897483D+00
      2  -0.308728D+00  0.728911D+00 -0.249672D+01  0.996289D+00 -0.111336D+01
      3   0.815134D+00 -0.137620D+00  0.996289D+00 -0.191395D+01 -0.290489D+00
                26            27            28            29            30 
      1  -0.111336D+01 -0.290489D+00  0.137512D+02 -0.405419D+01 -0.269927D+00
      2   0.101672D+01 -0.364490D+01 -0.405419D+01  0.462803D+01  0.228150D+00
      3  -0.364490D+01 -0.267254D+01 -0.269927D+00  0.228150D+00  0.181552D+01
                31            32            33            34            35 
      1  -0.873800D+01 -0.194475D+01 -0.548926D+00 -0.187883D+01 -0.117161D+01
      2  -0.194475D+01 -0.161967D+00  0.993643D-01 -0.117161D+01 -0.401140D+00
      3  -0.548926D+00  0.993643D-01 -0.660880D-01  0.324547D+01 -0.152388D+01
                36            37            38            39            40 
      1   0.324547D+01  0.289236D+01  0.373551D+01  0.791196D+00  0.126705D+02
      2  -0.152388D+01  0.373551D+01  0.658132D+01  0.131823D+01  0.304602D+01
      3  -0.156941D+01  0.791196D+00  0.131823D+01  0.184850D+01  0.757129D-01
                41            42            43            44            45 
      1   0.304602D+01  0.757129D-01  0.291504D+01  0.310753D+00  0.223970D+01
      2   0.469533D+01 -0.455805D+00  0.310753D+00 -0.125688D+01  0.244441D+01
      3  -0.455805D+00  0.946756D+00  0.223970D+01  0.244441D+01  0.575814D+00
                46            47            48            49            50 
      1   0.147483D+01 -0.349629D+01 -0.437831D+00  0.524368D+01 -0.808070D+00
      2  -0.349629D+01 -0.281325D+01  0.434920D+00 -0.808070D+00  0.164432D+01
      3  -0.437831D+00  0.434920D+00  0.173158D+00  0.156306D+00 -0.847205D+00
                51            52            53            54            55 
      1   0.156306D+00  0.515549D+00  0.107894D+01 -0.178657D+01 -0.278251D+01
      2  -0.847205D+00  0.107894D+01 -0.717150D+00  0.356528D+01  0.283564D+01
      3   0.224369D+01 -0.178657D+01  0.356528D+01  0.234879D+01 -0.225867D+00
                56            57            58            59            60 
      1   0.283564D+01 -0.225867D+00  0.420210D+01 -0.431060D+01  0.687139D+00
      2  -0.297777D+01  0.766496D+00 -0.431060D+01 -0.186485D+01  0.167310D+01
      3   0.766496D+00 -0.226423D+01  0.687139D+00  0.167310D+01  0.335230D+01
                61            62            63            64            65 
      1  -0.231419D+01  0.119898D+01 -0.448319D+01 -0.614761D+01 -0.201014D+01
      2   0.119898D+01  0.703513D+00  0.446662D+01 -0.201014D+01  0.185808D+01
      3  -0.448319D+01  0.446662D+01  0.144209D+01 -0.234048D+01  0.203811D+00
                66            67            68            69            70 
      1  -0.234048D+01 -0.184333D+01  0.168275D+01  0.382863D+00 -0.400867D+01
      2   0.203811D+00  0.168275D+01  0.303456D+01 -0.136320D+01 -0.512160D-01
      3   0.571095D+00  0.382863D+00 -0.136320D+01 -0.144303D+01 -0.343221D+00
                71            72            73            74            75 
      1  -0.512160D-01 -0.343221D+00 -0.204812D+01 -0.310057D+00 -0.258696D+00
      2  -0.392957D+00 -0.231670D+01 -0.310057D+00 -0.192232D+01 -0.178656D+01
      3  -0.231670D+01  0.565001D+01 -0.258696D+00 -0.178656D+01 -0.172822D+01
                76            77            78            79            80 
      1  -0.557906D+00 -0.357210D+01 -0.138264D+01 -0.177699D+01 -0.272957D+01
      2  -0.357210D+01 -0.755324D+01  0.163916D+01 -0.272957D+01  0.175287D+01
      3  -0.138264D+01  0.163916D+01 -0.968828D+00 -0.329590D+01 -0.306149D+01
                81            82            83            84            85 
      1  -0.329590D+01 -0.718935D+01 -0.445167D+01 -0.378827D+00 -0.433438D+01
      2  -0.306149D+01 -0.445167D+01 -0.338162D+01 -0.232024D+00 -0.429331D+01
      3  -0.438985D+01 -0.378827D+00 -0.232024D+00 -0.594803D+00 -0.676320D+00
                86            87            88            89            90 
      1  -0.429331D+01 -0.676320D+00 -0.209061D+00 -0.501160D+00  0.779938D-01
      2  -0.484748D+01 -0.616839D+00 -0.501160D+00 -0.850128D+00  0.941366D-02
      3  -0.616839D+00 -0.607506D+00  0.779938D-01  0.941366D-02 -0.687219D-01
                91            92            93            94            95 
      1  -0.123997D+02  0.237581D+01  0.154890D+01  0.241302D+01 -0.201827D+01
      2   0.237581D+01 -0.115226D+01 -0.297935D+00 -0.201827D+01  0.990441D+00
      3   0.154890D+01 -0.297935D+00 -0.958083D+00 -0.668426D+00  0.331013D+00
                96            97            98            99           100 
      1  -0.668426D+00  0.167361D+01 -0.667130D+00 -0.665065D-01  0.503510D+00
      2   0.331013D+00 -0.667130D+00  0.282734D+00  0.600568D-01 -0.133917D+01
      3   0.314161D+00 -0.665065D-01  0.600568D-01  0.166715D+00 -0.327690D+00
               101           102           103           104           105 
      1  -0.133917D+01 -0.327690D+00 -0.920958D+00  0.778993D+00  0.156964D+00
      2   0.130421D+01  0.436965D+00  0.778993D+00 -0.970693D+01 -0.217644D+01
      3   0.436965D+00  0.223290D+00  0.156964D+00 -0.217644D+01 -0.130477D+01
               106           107           108           109           110 
      1  -0.311978D+00  0.427091D+00  0.248270D-01 -0.134775D+01  0.183570D+01
      2   0.427091D+00 -0.231361D+01 -0.524797D+00  0.183570D+01 -0.188052D+01
      3   0.248270D-01 -0.524797D+00 -0.309569D+00  0.467540D+00 -0.500346D+00
               111           112           113           114           115 
      1   0.467540D+00  0.164258D+01 -0.282807D+01 -0.643762D+00  0.464009D+00
      2  -0.500346D+00 -0.282807D+01  0.958360D+01  0.202556D+01 -0.798333D+00
      3  -0.368371D+00 -0.643762D+00  0.202556D+01  0.123196D+01 -0.226277D+00
               116           117           118           119           120 
      1  -0.798333D+00 -0.226277D+00  0.194219D+01 -0.140160D+01 -0.140838D+01
      2   0.207896D+01  0.446948D+00 -0.140160D+01  0.105415D+01  0.431867D+00
      3   0.446948D+00  0.298660D+00 -0.140838D+01  0.431867D+00  0.138195D+01
               121           122           123           124           125 
      1  -0.308607D+01  0.228806D+01  0.953538D+00 -0.245547D+01  0.123790D+01
      2   0.228806D+01 -0.309470D+01 -0.218321D+01  0.123790D+01 -0.242942D+01
      3   0.953538D+00 -0.218321D+01 -0.286110D+01  0.260193D+01 -0.290845D+01
               126           127           128           129           130 
      1   0.260193D+01 -0.836754D+01  0.171700D+01  0.748622D+00 -0.138836D+01
      2  -0.290845D+01  0.171700D+01  0.283183D+01 -0.124120D+01  0.317081D+01
      3  -0.527733D+01  0.748622D+00 -0.124120D+01  0.214807D+01 -0.142232D+01
               131           132           133           134           135 
      1   0.317081D+01 -0.142232D+01  0.546878D+01 -0.250804D+01  0.317156D+01
      2   0.333166D+01 -0.136689D+01 -0.250804D+01  0.241601D-01 -0.372881D+01
      3  -0.136689D+01 -0.329251D+01  0.317156D+01 -0.372881D+01 -0.143928D+01
               136           137           138           139           140 
      1   0.113014D+01  0.554349D+00 -0.939374D+00  0.567390D+00  0.374956D+00
      2   0.554349D+00 -0.159762D+00 -0.202472D+00  0.374956D+00  0.829441D+00
      3  -0.939374D+00 -0.202472D+00  0.188437D+00 -0.509087D+00 -0.122028D+01
               141           142           143           144           145 
      1  -0.509087D+00 -0.156394D+01 -0.625842D+00  0.223513D+01  0.108315D+02
      2  -0.122028D+01 -0.625842D+00 -0.186923D+01  0.245324D+01  0.206982D+01
      3   0.160793D+01  0.223513D+01  0.245324D+01 -0.857050D+01  0.918924D+00
               146           147           148           149           150 
      1   0.206982D+01  0.918924D+00  0.136418D+01  0.129834D+01  0.112658D-01
      2   0.139515D+01 -0.419210D-01  0.129834D+01  0.485526D+00  0.286160D+00
      3  -0.419210D-01  0.114427D+01  0.112658D-01  0.286160D+00  0.305564D+00
               151           152           153           154           155 
      1   0.325519D+01  0.568908D+00  0.145384D+01 -0.143091D+00  0.865065D+00
      2   0.568908D+00  0.684280D+00  0.511237D+00  0.865065D+00 -0.813065D+00
      3   0.145384D+01  0.511237D+00  0.747726D-01 -0.360243D+00  0.191620D+00
               156           157           158           159           160 
      1  -0.360243D+00  0.192482D+01  0.190605D+01 -0.189013D+00 -0.487691D+00
      2   0.191620D+00  0.190605D+01  0.106074D+02 -0.188412D+01 -0.163615D+00
      3   0.104932D+00 -0.189013D+00 -0.188412D+01  0.127132D+01  0.736633D+00
               161           162           163           164           165 
      1  -0.163615D+00  0.736633D+00  0.222204D+01  0.107837D+01  0.151734D+01
      2  -0.345586D+01  0.210383D+01  0.107837D+01  0.843540D+00  0.849245D+00
      3   0.210383D+01 -0.653441D+00  0.151734D+01  0.849245D+00  0.145489D+01
               166           167           168           169           170 
      1   0.718805D+00  0.160655D+01  0.712398D+00  0.399073D+01  0.254368D+01
      2   0.160655D+01  0.279894D+01  0.143042D+01  0.254368D+01  0.321845D+01
      3   0.712398D+00  0.143042D+01  0.115465D+01  0.285968D+01  0.340082D+01
               171           172           173           174           175 
      1   0.285968D+01  0.440950D+00  0.256895D+00  0.548576D+00  0.105488D+01
      2   0.340082D+01  0.256895D+00 -0.582218D+00  0.105215D+00 -0.419321D+00
      3   0.661791D+01  0.548576D+00  0.105215D+00 -0.946921D+00  0.484014D+00
               176           177           178           179           180 
      1  -0.419321D+00  0.484014D+00  0.105154D+01 -0.116868D-01  0.394417D+00
      2   0.103448D+01  0.111252D+01 -0.116868D-01  0.150619D+01  0.115923D+01
      3   0.111252D+01  0.276825D+01  0.394417D+00  0.115923D+01  0.593967D+01
               181           182           183           184           185 
      1   0.128927D+02 -0.313242D+01  0.937304D+00 -0.129391D+01  0.131818D+01
      2  -0.313242D+01  0.175067D+01 -0.398475D+00  0.131818D+01 -0.118017D+01
      3   0.937304D+00 -0.398475D+00  0.127975D+01  0.612730D-01  0.210183D+00
               186           187           188           189           190 
      1   0.612730D-01 -0.146572D+01  0.492164D+00  0.870852D+00 -0.227013D+00
      2   0.210183D+00  0.492164D+00 -0.406380D+00  0.596680D-01 -0.955679D+00
      3   0.171988D+00  0.870852D+00  0.596680D-01 -0.853083D-03  0.303718D-01
               191           192           193           194           195 
      1  -0.955679D+00  0.303718D-01 -0.151537D+01 -0.283753D+00 -0.948015D-02
      2  -0.219933D+01  0.790007D+00 -0.283753D+00 -0.762758D+01  0.196353D+01
      3   0.790007D+00 -0.949185D+00 -0.948015D-02  0.196353D+01 -0.135989D+01
               196           197           198 
      1  -0.293925D+00  0.248197D+00 -0.257267D+00
      2   0.248197D+00  0.113081D+01 -0.920451D+00
      3  -0.257267D+00 -0.920451D+00  0.977538D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.198970D+01  0.905916D+00 -0.430297D+01  0.269987D+01 -0.631028D+00
      2   0.242221D+01  0.164969D+01  0.475449D+01 -0.245071D+01 -0.294360D+01
      3  -0.668073D+01 -0.109834D+02 -0.108836D+01  0.840277D+01 -0.401136D+01
                 6             7             8             9            10 
      1  -0.994136D+00 -0.802338D+01  0.489882D+01  0.204572D+01  0.635550D+00
      2   0.703861D+01  0.836143D-02  0.108269D+02  0.386591D+01 -0.879622D+00
      3   0.152053D+01  0.294786D+01  0.333178D+01 -0.473887D+01  0.509575D+01
                11            12            13            14            15 
      1   0.401647D+00  0.217540D+01  0.217802D-02 -0.275302D+01  0.243599D+01
      2  -0.192414D+00  0.860742D+01 -0.395104D+01  0.790832D+00 -0.282406D+01
      3  -0.916185D+01 -0.233263D+00  0.111718D+02  0.421447D+01 -0.195692D+01
                16            17            18            19            20 
      1   0.451274D+01  0.107746D+02  0.223941D+01  0.104334D+01 -0.132420D+01
      2   0.761308D+01 -0.511647D+01 -0.469749D+01 -0.505192D+01  0.320437D+01
      3   0.349942D+01 -0.128891D+01  0.205297D+01  0.942247D+01 -0.610040D+01
                21            22            23            24            25 
      1   0.315196D+01 -0.722686D+00  0.112979D+01 -0.372289D+01  0.331611D+01
      2  -0.171058D+01  0.143543D+01  0.717168D+00  0.257835D+01 -0.139202D+02
      3  -0.380316D+01  0.610370D+01 -0.783426D+01 -0.572112D-02 -0.360833D+01
                26            27            28            29            30 
      1   0.273208D+00 -0.144643D+01  0.187866D+00  0.131569D+00  0.203122D+01
      2   0.314132D+01  0.357055D+01  0.243911D+01 -0.355174D+01 -0.190218D+01
      3   0.805151D+00 -0.545457D+01 -0.543977D+01  0.124660D+02  0.198036D+01
                31            32            33            34            35 
      1   0.286006D+00 -0.340847D+01 -0.103718D+01  0.393915D+01  0.992511D+01
      2  -0.167846D+01  0.612985D+00  0.288007D+00 -0.142084D+02 -0.691920D+00
      3   0.112297D+02 -0.924112D+01  0.166435D+01 -0.505065D+00 -0.151994D+01
                36            37            38            39            40 
      1   0.847680D+00 -0.185874D+01 -0.266693D+00 -0.162048D+01  0.658848D+00
      2   0.972201D+00 -0.336986D+00 -0.480143D-02 -0.188966D+01  0.406943D+01
      3  -0.233999D+01 -0.271789D+01  0.964792D+01  0.254043D+01  0.122165D+02
                41            42            43            44            45 
      1  -0.549380D+00 -0.456796D+00 -0.410055D+01  0.732573D+01  0.153245D+01
      2  -0.275321D+01 -0.148903D+01 -0.139366D+02 -0.736986D+00 -0.616393D-01
      3   0.177296D+02  0.117604D+01 -0.879352D+00  0.293557D+01  0.458550D+01
                46            47            48            49            50 
      1   0.621396D+00 -0.927127D+00 -0.110444D+01 -0.680517D+00  0.126652D+00
      2   0.721390D+00  0.211451D+01 -0.103047D+01  0.219916D+01  0.235100D+01
      3  -0.505119D+01 -0.153737D+02 -0.212724D+01  0.119068D+00  0.423470D+01
                51            52            53            54            55 
      1  -0.384183D+01  0.271032D+01  0.931906D+00 -0.973933D+00 -0.186997D+01
      2  -0.579292D+01 -0.106750D+02 -0.861002D+01 -0.348651D+01 -0.291077D+00
      3  -0.153997D+01 -0.195315D+01 -0.182489D+01  0.533527D+01 -0.738167D+00
                56            57            58            59            60 
      1   0.783681D+00 -0.277984D+01  0.334071D+00  0.473507D+01  0.225255D+00
      2   0.272542D+01 -0.109551D+01  0.372012D+01  0.466069D+00  0.629614D+01
      3  -0.338111D+01  0.863405D+00  0.101790D+02  0.121571D+02 -0.493647D+01
                61            62            63            64            65 
      1  -0.596309D+01  0.718361D+01  0.618650D-01  0.429594D+01 -0.222899D+01
      2  -0.145984D+02  0.945163D+01  0.919238D+00 -0.124713D+02 -0.717654D+00
      3   0.193886D+01 -0.535518D+01 -0.458356D+01  0.671324D+00 -0.112777D+02
                66            67            68            69            70 
      1  -0.698636D+00 -0.102604D+01 -0.248279D+01  0.131921D+01  0.909735D+00
      2   0.140584D+01  0.520264D+00 -0.627252D+00 -0.398094D+01 -0.854195D+01
      3  -0.373400D+01 -0.727662D+01 -0.736054D+01  0.521825D+01 -0.643209D+01
                71            72            73            74            75 
      1   0.549924D+01 -0.433248D+01  0.128541D+01  0.487153D+01  0.365199D+01
      2  -0.691323D+01  0.129485D+02  0.249377D+00 -0.154218D+01  0.431075D-01
      3   0.343046D+01  0.529803D+01 -0.424602D+01 -0.270086D+01  0.140142D+01
                76            77            78            79            80 
      1   0.215066D+01 -0.836181D+01  0.464954D+00  0.991567D+01  0.124957D+02
      2  -0.192321D+01  0.270510D+01  0.269110D+00 -0.804107D+01 -0.247960D+01
      3   0.117561D+02 -0.461648D+00 -0.752352D+01  0.715168D-01 -0.128837D+02
                81            82            83            84            85 
      1   0.951077D+01  0.260578D+00  0.484312D+00 -0.232967D+01 -0.451607D+00
      2  -0.324021D+01 -0.487819D+00 -0.409948D+00  0.363954D+01  0.945343D+00
      3  -0.534309D+01 -0.175192D+01 -0.553672D+01  0.293683D-01 -0.387758D+01
                86            87            88            89            90 
      1  -0.783185D-01 -0.263502D+01  0.126943D+01  0.145596D+01 -0.174944D+00
      2   0.985731D+00  0.307274D+01 -0.171611D+01 -0.112887D+01  0.153930D+00
      3  -0.876627D+01 -0.789260D+00 -0.107151D+01 -0.163433D+01  0.211592D+00
                91            92            93            94            95 
      1  -0.173086D+00 -0.586264D+00  0.117596D+01 -0.338096D-01  0.175729D+00
      2  -0.183774D+01  0.353388D+00  0.593606D+01  0.161330D+01 -0.745503D+00
      3   0.190913D+01 -0.551786D+01 -0.274411D+00 -0.396112D+01  0.279907D+01
                96            97            98            99           100 
      1  -0.743267D+00 -0.866194D+00  0.626216D+00 -0.124844D+00  0.258605D+00
      2  -0.169549D+01 -0.250076D+01  0.550936D+00 -0.589373D+00  0.682103D+00
      3   0.734618D+00 -0.185067D+01  0.148110D+01  0.598994D-01 -0.382133D+01
               101           102           103           104           105 
      1   0.559738D-01  0.977809D+00 -0.224320D+00  0.811527D+00 -0.463825D+01
      2  -0.964543D+00  0.936616D-02 -0.128400D+01  0.243235D+01  0.611380D+00
      3   0.388671D+01  0.102662D+01  0.631208D+01 -0.123870D+02 -0.291038D+01
               106           107           108           109           110 
      1  -0.252201D+00  0.220889D+01 -0.634870D+00 -0.175396D+00  0.134704D+00
      2  -0.131955D+01  0.578463D+00 -0.424369D-01 -0.357379D+00  0.403192D+00
      3   0.142129D+01 -0.317561D+01 -0.403749D+00  0.797817D+00 -0.106610D+01
               111           112           113           114           115 
      1   0.114693D+01  0.125945D+00  0.614127D+00 -0.461796D+01 -0.341901D+00
      2   0.102791D+01  0.131094D+00 -0.317413D+01 -0.268608D+01 -0.920303D+00
      3  -0.296331D+00  0.823571D+00  0.144009D+02  0.294918D+01 -0.159720D+00
               116           117           118           119           120 
      1   0.203005D+01 -0.633589D+00 -0.778952D+00 -0.582742D+00  0.144265D+01
      2  -0.254786D-01 -0.333450D+00 -0.993440D+00  0.384074D+00  0.283716D+01
      3   0.318807D+01  0.220053D+00  0.126587D+01 -0.326075D+01  0.213470D+00
               121           122           123           124           125 
      1   0.193982D+00  0.625653D+00 -0.269324D+01  0.197075D+01  0.109822D+01
      2  -0.255472D+00 -0.254480D+01 -0.510342D+01  0.122980D+01 -0.402694D+01
      3   0.763454D+00  0.351800D+01  0.372876D+01  0.107994D+01  0.483245D+01
               126           127           128           129           130 
      1  -0.361463D+01  0.309185D+01  0.193692D+01  0.297490D+01 -0.162083D+01
      2  -0.803393D+01  0.116597D+02 -0.657855D+01  0.804264D+01 -0.627695D+01
      3   0.387147D+01  0.939198D+01 -0.135937D+02  0.159171D+01 -0.576262D+01
               131           132           133           134           135 
      1   0.387281D+01 -0.112091D+02  0.274627D+01 -0.627535D+01 -0.644773D+01
      2  -0.555275D+01 -0.764569D+01  0.565345D+01 -0.815628D+01 -0.578141D+01
      3  -0.169978D+02  0.692432D+01  0.609279D-02  0.685039D+01  0.510455D+01
               136           137           138           139           140 
      1   0.547591D-01  0.682045D+00 -0.212032D-02  0.717503D+00  0.303969D-01
      2  -0.434230D+00 -0.123578D+00  0.839978D+00 -0.331630D+00 -0.250810D+01
      3  -0.699551D+00  0.762334D+00 -0.203923D+00  0.271637D+01 -0.117911D+01
               141           142           143           144           145 
      1  -0.134179D+01 -0.137990D+01  0.223931D+01  0.653586D+01 -0.236675D+01
      2   0.335713D+01  0.731698D+00  0.456681D+01 -0.181222D+02  0.897276D+01
      3   0.236153D+01 -0.985081D+00  0.501716D+01 -0.269615D+01  0.655302D+01
               146           147           148           149           150 
      1  -0.799260D+00 -0.160578D+01 -0.756666D+00 -0.454168D+00 -0.132323D+01
      2   0.123804D+01  0.650343D+01  0.966046D+00  0.150856D+01  0.114619D+01
      3  -0.554657D+01  0.113213D+01 -0.572240D+00  0.196946D+00 -0.125047D+01
               151           152           153           154           155 
      1  -0.163728D+01 -0.664787D-01 -0.788136D+00  0.440868D+00 -0.831677D+00
      2   0.425685D+01  0.148602D+01  0.170821D+01  0.171931D+00  0.570439D+00
      3   0.236889D+01 -0.273074D+01  0.168267D+00 -0.150073D+01  0.232310D+00
               156           157           158           159           160 
      1  -0.220825D-01  0.179760D+01  0.593977D+01 -0.585434D+01 -0.191844D+01
      2   0.113733D+01 -0.448046D+00 -0.224692D+01  0.133218D+01  0.211486D+00
      3  -0.137549D+01  0.481692D+01 -0.887645D+01  0.228602D+01 -0.226646D+01
               161           162           163           164           165 
      1  -0.409811D+01  0.232635D+01 -0.311281D+01 -0.110110D+01 -0.354994D+01
      2   0.151460D+01 -0.869666D+00 -0.496889D+00  0.712369D+00  0.252082D+01
      3   0.487806D+01 -0.934756D+00  0.578420D+01 -0.137916D+00  0.216930D+01
               166           167           168           169           170 
      1  -0.131924D+01 -0.158667D+01 -0.309131D+01 -0.653281D+01 -0.487773D+01
      2   0.599605D+00  0.104615D+01  0.143297D+01  0.835163D+00  0.292342D+01
      3  -0.299777D+00 -0.328499D+00  0.799850D-01  0.663617D+01  0.164021D+01
               171           172           173           174           175 
      1  -0.150500D+02  0.128768D+01 -0.144276D+01 -0.133771D+01 -0.579324D+00
      2   0.654867D+01  0.159203D+01 -0.292085D+00 -0.222065D+01 -0.107745D+01
      3   0.212816D+01 -0.967819D+00  0.852100D+00 -0.651114D+00  0.109228D+01
               176           177           178           179           180 
      1   0.502831D+01  0.466170D+01 -0.159821D+00  0.668177D+01  0.103496D+02
      2   0.349759D+01  0.660562D+01 -0.319039D+01  0.365195D+01  0.139016D+02
      3  -0.272151D+01 -0.339999D+01 -0.712843D+00 -0.423733D+01 -0.367442D+01
               181           182           183           184           185 
      1   0.878147D-01  0.108718D+01  0.247854D+01  0.817231D+00 -0.549885D+00
      2  -0.772017D+01  0.922149D+00  0.630606D+01  0.126295D+01 -0.442897D-01
      3  -0.132843D+02 -0.353564D+01 -0.172443D+00  0.192706D+00  0.175809D+01
               186           187           188           189           190 
      1  -0.251743D+00  0.112432D+01  0.102366D+01  0.169734D+00 -0.122626D+01
      2   0.858931D-01  0.119752D+01  0.377182D+00 -0.520500D+00  0.127864D+01
      3  -0.529652D+00  0.521537D+00 -0.180151D+00 -0.178778D+01  0.516534D+01
               191           192           193           194           195 
      1  -0.138465D+01 -0.185368D+01 -0.119953D+01 -0.481189D+01 -0.292919D+01
      2   0.267743D+01 -0.148796D+01  0.221423D+01  0.602701D+01 -0.289669D+01
      3   0.693106D+01 -0.156737D+01  0.719537D+01  0.199986D+02 -0.496863D+01
               196           197           198 
      1  -0.396373D+00  0.104146D+01  0.118103D+01
      2  -0.151023D+01 -0.202543D+01  0.235736D+01
      3  -0.673058D-01 -0.355964D+01  0.292117D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412873D+01 -0.226400D+02 -0.346993D+01  0.314434D+02  0.196124D+01
      2  -0.494870D+00  0.160166D+02 -0.182726D+01 -0.305349D+02 -0.523642D+01
      3   0.462360D+01  0.662335D+01  0.529719D+01 -0.908484D+00  0.327518D+01
      4  -0.186144D+02  0.133912D+02  0.545907D+01  0.358921D+01 -0.145793D+02
      5   0.201822D+01  0.363111D+01  0.111462D+02 -0.655204D+01 -0.879328D+01
      6   0.288943D+01  0.269111D+01  0.990495D+01 -0.875872D+01 -0.503076D+01
                 6             7             8             9            10 
      1  -0.244202D+00  0.123240D+02  0.418339D+01  0.660019D+01 -0.854380D+01
      2   0.234982D+01 -0.130943D+02 -0.657990D+01 -0.111558D+02  0.457002D+01
      3  -0.210562D+01  0.770264D+00  0.239651D+01  0.455557D+01  0.397378D+01
      4  -0.110828D+02 -0.131219D+01 -0.103279D+02  0.133105D+02  0.493562D+01
      5   0.145145D+02  0.271542D+02  0.156241D+02  0.793849D+01  0.686105D+01
      6   0.311111D+01  0.833340D+01  0.120826D+02 -0.267515D+01  0.284198D-01
                11            12            13            14            15 
      1   0.563623D+01  0.759511D+01 -0.242592D+02 -0.194204D+02 -0.679537D+01
      2  -0.293654D+01 -0.217385D+01  0.211963D+02  0.189496D+02  0.891591D+01
      3  -0.269969D+01 -0.542126D+01  0.306290D+01  0.470804D+00 -0.212054D+01
      4   0.246302D+02 -0.321609D+00 -0.224344D+02  0.135699D+02  0.862341D+01
      5  -0.712646D+00  0.185621D+02 -0.122096D+02  0.561592D+01 -0.584858D+01
      6   0.244129D+00 -0.455301D+01  0.718052D+01  0.457928D+01 -0.454702D+01
                16            17            18            19            20 
      1   0.403066D+01 -0.909736D+01  0.128305D+02  0.118982D+02  0.659630D+01
      2   0.259422D+01  0.633155D+01 -0.181976D+02 -0.915804D+01 -0.811293D+01
      3  -0.662488D+01  0.276581D+01  0.536708D+01 -0.274011D+01  0.151663D+01
      4  -0.139750D+02  0.393298D+01 -0.378099D+01  0.856925D+01 -0.238394D+02
      5   0.350500D+02 -0.590723D+01 -0.969685D+01 -0.212726D+01 -0.215089D+01
      6  -0.182162D+01  0.704336D+01 -0.343325D+01 -0.153406D+01  0.190306D+01
                21            22            23            24            25 
      1  -0.183929D+01  0.663167D+01  0.917613D+01  0.536040D+01 -0.160662D+01
      2   0.210672D+01 -0.920998D-01 -0.147994D+02 -0.883880D+01  0.160551D+01
      3  -0.267430D+00 -0.653957D+01  0.562323D+01  0.347840D+01  0.111112D-02
      4  -0.424682D+01  0.172286D+02  0.108519D+02  0.227339D+00  0.136310D+01
      5  -0.611181D+01  0.874530D+00  0.731859D+00  0.373758D+01  0.230507D+01
      6  -0.645113D+01  0.291876D+01 -0.125920D+02  0.560665D+01  0.687908D-01
                26            27            28            29            30 
      1   0.385145D+01 -0.151027D+02 -0.222168D+02  0.909636D+01  0.300925D+01
      2  -0.105277D+02  0.560939D+00  0.135430D+02 -0.495925D+01  0.564378D-01
      3   0.667630D+01  0.145417D+02  0.867383D+01 -0.413711D+01 -0.306569D+01
      4   0.345525D+01  0.975054D+01 -0.109365D+02  0.968947D+01  0.656859D+00
      5   0.865416D+01  0.782915D+01  0.440517D+01 -0.127567D+01 -0.196705D+01
      6   0.144658D+02  0.595991D+01 -0.277929D+01 -0.306743D+00 -0.271784D+01
                31            32            33            34            35 
      1  -0.324925D+01 -0.296822D+01 -0.208811D+00  0.742230D+01 -0.142612D+01
      2   0.815739D+01  0.919396D+01  0.199138D+01 -0.891774D-01 -0.101169D+00
      3  -0.490814D+01 -0.622574D+01 -0.178257D+01 -0.733312D+01  0.152729D+01
      4  -0.490610D+01  0.962572D+01  0.116582D+01 -0.433362D+01  0.117361D+01
      5  -0.274365D+01 -0.316697D+00 -0.293902D+00  0.402062D+01 -0.859186D+00
      6   0.559834D+01  0.239313D+01  0.167844D+01 -0.155306D+01  0.653242D+01
                36            37            38            39            40 
      1  -0.916421D+01 -0.162281D+02 -0.254079D+02 -0.497360D+01 -0.690223D+01
      2  -0.308158D+01  0.117502D+02  0.179871D+02  0.278725D+01 -0.245230D+01
      3   0.122458D+02  0.447788D+01  0.742077D+01  0.218635D+01  0.935453D+01
      4  -0.334142D+01 -0.594324D+01 -0.460675D+01  0.198849D+01  0.433997D+01
      5   0.884082D+00 -0.116008D+01  0.225306D+01 -0.167409D+01  0.458136D+01
      6  -0.539749D+00  0.623994D+01  0.383548D+01  0.312287D+01 -0.636921D+01
                41            42            43            44            45 
      1  -0.758600D+01  0.351820D+01 -0.264863D+00  0.643187D+01 -0.108683D+02
      2   0.794138D+01  0.134883D+00 -0.149776D+01 -0.510384D+01  0.101931D+01
      3  -0.355383D+00 -0.365308D+01  0.176262D+01 -0.132803D+01  0.984903D+01
      4  -0.755695D+01 -0.215099D+01  0.189127D+01 -0.235968D+00 -0.148735D+01
      5  -0.171904D+01 -0.237050D+01  0.450496D+01 -0.291299D+01  0.229568D+00
      6  -0.528891D+00  0.234717D+01  0.987483D+00  0.901532D+01 -0.140114D+01
                46            47            48            49            50 
      1   0.157159D+02  0.173410D+02 -0.117091D+01 -0.183428D+02  0.134038D+02
      2  -0.134394D+02 -0.122472D+02 -0.136160D+01  0.157335D+02 -0.194653D+02
      3  -0.227650D+01 -0.509388D+01  0.253251D+01  0.260933D+01  0.606157D+01
      4   0.751655D+01 -0.165550D+02 -0.570401D+01  0.136364D+02 -0.425092D+01
      5   0.369204D+01 -0.465880D+01 -0.490297D+01  0.109677D+01  0.463725D+01
      6  -0.665410D+01  0.146891D+01  0.677134D+00  0.372578D+01 -0.116757D+02
                51            52            53            54            55 
      1   0.358749D+01 -0.611385D+01 -0.138111D+01 -0.750348D+01  0.197573D+02
      2  -0.768712D+01  0.788586D+01 -0.689778D+01 -0.437554D+01 -0.985921D+01
      3   0.409962D+01 -0.177201D+01  0.827888D+01  0.118790D+02 -0.989808D+01
      4   0.465802D+01 -0.264375D+01  0.983902D+01 -0.140156D+02  0.995880D+01
      5  -0.108482D+02  0.880902D+01 -0.131788D+02 -0.724248D+01 -0.211169D+01
      6   0.645315D+01 -0.474323D+01  0.131586D+02  0.298833D+01  0.306868D+01
                56            57            58            59            60 
      1  -0.534370D+01  0.320599D+01 -0.443481D+01 -0.557286D+01  0.390529D+01
      2   0.292310D+01 -0.157399D+01 -0.397138D+00  0.458200D+01 -0.406872D+01
      3   0.242060D+01 -0.163200D+01  0.483195D+01  0.990865D+00  0.163430D+00
      4  -0.120770D+02  0.276994D+01 -0.236061D+02 -0.636320D+01  0.587135D+01
      5   0.326302D+01 -0.103903D+02  0.550826D+01  0.740885D+01  0.152426D+02
      6  -0.148909D+01  0.791120D+01  0.282971D+01 -0.373717D+01 -0.130843D+02
                61            62            63            64            65 
      1  -0.580123D+01  0.605378D+01  0.178752D+01 -0.334894D+02 -0.127221D+02
      2  -0.257271D+00  0.876046D+00 -0.127241D+01  0.103165D+02  0.963640D+01
      3   0.605850D+01 -0.692983D+01 -0.515105D+00  0.231729D+02  0.308567D+01
      4   0.112398D+02 -0.855148D+00  0.231576D+02 -0.156243D+02  0.133418D+01
      5  -0.234485D+02  0.208970D+02  0.490449D+01 -0.111439D+02  0.105553D+00
      6   0.180318D+02 -0.158658D+02 -0.823044D+01 -0.401100D+01  0.600671D+00
                66            67            68            69            70 
      1  -0.117750D+02 -0.107928D+02  0.700489D+01  0.451658D+00 -0.214334D+02
      2   0.738885D+01  0.100078D+02  0.471693D+00 -0.657593D+01  0.920343D+01
      3   0.438611D+01  0.784999D+00 -0.747659D+01  0.612427D+01  0.122300D+02
      4  -0.314113D+01  0.500376D+01  0.145997D+02 -0.419432D+01 -0.697950D+01
      5   0.315937D+01  0.249479D+01 -0.685904D+01 -0.641465D+01 -0.542418D+00
      6   0.414120D+00 -0.205745D+01 -0.262537D+01 -0.341230D+01 -0.315887D+01
                71            72            73            74            75 
      1  -0.197966D+01  0.690149D+01  0.236862D+01  0.105467D+02  0.815330D+01
      2  -0.891887D+01  0.113729D+02  0.506710D+01 -0.412459D+01 -0.713181D+01
      3   0.108985D+02 -0.182744D+02 -0.743571D+01 -0.642207D+01 -0.102150D+01
      4   0.123713D+01 -0.110437D+02  0.391510D+01  0.173456D+01 -0.258386D+01
      5  -0.102203D+02  0.240014D+02  0.638571D+00 -0.448517D+01 -0.670655D+01
      6  -0.107774D+01  0.166940D+02 -0.334216D+01 -0.821371D+01 -0.710753D+01
                76            77            78            79            80 
      1   0.201492D+02  0.250177D+02 -0.794269D+01  0.141299D+02 -0.728710D+01
      2  -0.175536D+02 -0.373928D+02  0.138508D+02 -0.653328D+01  0.199585D+02
      3  -0.259558D+01  0.123751D+02 -0.590814D+01 -0.759664D+01 -0.126714D+02
      4  -0.205971D+01 -0.996028D+01  0.156973D+01 -0.605684D+01 -0.157300D+01
      5  -0.699565D+01  0.260759D+01 -0.162864D+01 -0.114036D+02 -0.901843D+01
      6  -0.306555D+01  0.123407D+02 -0.537724D+01 -0.158522D+02 -0.171885D+02
                81            82            83            84            85 
      1   0.112545D+02  0.383798D+02  0.201414D+02  0.215936D+01  0.161850D+02
      2  -0.673370D+01 -0.126310D+02 -0.316735D+01 -0.886859D+00  0.145249D+01
      3  -0.452083D+01 -0.257487D+02 -0.169741D+02 -0.127250D+01 -0.176375D+02
      4  -0.104571D+02  0.416748D+02  0.318913D+02  0.229135D+01  0.359271D+02
      5  -0.144423D+02  0.480861D+01  0.257226D+01  0.667285D+01  0.550460D+01
      6  -0.188460D+02  0.596534D+00  0.532249D+00  0.303925D+01  0.251104D+01
                86            87            88            89            90 
      1   0.105956D+02  0.156904D+01 -0.176918D+00  0.194126D+00  0.288735D+00
      2   0.750411D+01 -0.575928D+00  0.153334D+01  0.147213D+01  0.547888D+00
      3  -0.180997D+02 -0.993109D+00 -0.135642D+01 -0.166625D+01 -0.836622D+00
      4   0.370599D+02  0.436268D+01  0.395298D+01  0.455120D+01  0.184252D+01
      5   0.510033D+01  0.485977D+01  0.124890D+01  0.697091D+00  0.473746D+00
      6   0.244875D+01  0.446793D+01  0.824803D+00  0.116728D+01  0.117019D+01
                91            92            93            94            95 
      1   0.902101D+02 -0.160564D+02 -0.962792D+01 -0.146809D+02  0.106389D+02
      2  -0.507587D+02  0.801142D+01  0.659073D+01  0.652384D+01 -0.435849D+01
      3  -0.394514D+02  0.804499D+01  0.303719D+01  0.815708D+01 -0.628039D+01
      4  -0.255436D+02  0.129121D+02  0.284863D+01  0.189150D+02 -0.890862D+01
      5  -0.147477D+02  0.271900D+01  0.107232D+02  0.546675D+01 -0.288727D+01
      6   0.130948D+00 -0.702755D+00 -0.128661D+01 -0.164677D+01  0.648717D+00
                96            97            98            99           100 
      1   0.295669D+01 -0.117134D+02  0.370264D+01  0.276732D+01 -0.371088D+01
      2  -0.220759D+01  0.639894D+01 -0.200354D+01 -0.158515D+01  0.529420D+01
      3  -0.749097D+00  0.531446D+01 -0.169910D+01 -0.118217D+01 -0.158332D+01
      4  -0.272220D+01  0.623108D+01 -0.308730D+01 -0.163875D+01 -0.208243D+00
      5  -0.273182D+01  0.303427D+01 -0.677275D+00 -0.214551D+01  0.115203D+00
      6   0.219705D+01 -0.472634D+00  0.862001D+00  0.808174D+00  0.205568D+01
               101           102           103           104           105 
      1   0.713802D+01  0.245942D+01  0.400128D+01 -0.383722D+02 -0.913931D+01
      2  -0.744590D+01 -0.172309D+01 -0.405508D+01  0.524327D+02  0.917204D+01
      3   0.307884D+00 -0.736332D+00  0.537949D-01 -0.140605D+02 -0.327229D-01
      4   0.709115D+01  0.115120D+01  0.563931D+01  0.110561D+02  0.291051D+01
      5   0.923510D+00  0.157758D+01  0.977971D+00  0.371849D+01  0.167884D+01
      6  -0.308791D+01 -0.163704D+01 -0.976646D+00  0.161037D+02  0.101995D+02
               106           107           108           109           110 
      1   0.109804D+01 -0.881238D+01 -0.347779D+01  0.200034D+01 -0.249376D+01
      2  -0.108526D+01  0.109489D+02  0.387258D+01  0.319531D+01 -0.340865D+01
      3  -0.127849D-01 -0.213652D+01 -0.394786D+00 -0.519565D+01  0.590240D+01
      4   0.125107D+01  0.187516D+01 -0.743020D+00 -0.119618D+02  0.161823D+02
      5   0.751507D+00  0.279957D+00 -0.316460D+00 -0.270777D+01  0.346679D+01
      6  -0.319263D+00  0.576851D+01  0.357871D+01  0.242741D+01 -0.284398D+01
               111           112           113           114           115 
      1  -0.332844D+00  0.223070D+01 -0.232874D+02 -0.504956D+01  0.114185D+00
      2  -0.288067D+00 -0.941024D+01  0.419829D+02  0.613462D+01 -0.172051D+01
      3   0.620912D+00  0.717954D+01 -0.186955D+02 -0.108506D+01  0.160632D+01
      4   0.367521D+01  0.184593D+02 -0.411416D+02 -0.858533D+01  0.479833D+01
      5   0.338928D+01  0.377754D+01 -0.771944D+01 -0.500178D+01  0.143239D+01
      6  -0.205407D+01 -0.416719D+01  0.134141D+02  0.941562D+01 -0.156460D+01
               116           117           118           119           120 
      1  -0.406368D+01 -0.260027D+01  0.436051D+01 -0.178993D+01 -0.307329D+01
      2   0.727534D+01  0.338225D+01 -0.368092D+01  0.978589D+00  0.260035D+01
      3  -0.321167D+01 -0.781987D+00 -0.679589D+00  0.811345D+00  0.472935D+00
      4  -0.985547D+01 -0.236457D+01 -0.802584D+01  0.942698D+01  0.443009D+01
      5  -0.209558D+01 -0.143716D+01 -0.805551D+01  0.391760D+01  0.112432D+02
      6   0.499593D+01  0.350217D+01  0.539324D+01 -0.267562D+01 -0.424557D+01
               121           122           123           124           125 
      1   0.595931D+00 -0.589405D+01 -0.548181D+01 -0.746855D+00 -0.555673D+01
      2  -0.871378D+00  0.594733D+01  0.298059D+01  0.365299D+01  0.530262D+00
      3   0.275448D+00 -0.532774D-01  0.250122D+01 -0.290614D+01  0.502647D+01
      4   0.136956D+02 -0.139278D+02 -0.926489D+01  0.777698D+01 -0.102401D+02
      5   0.587557D+01 -0.935064D+01 -0.122535D+02  0.160058D+02 -0.122772D+02
      6  -0.571018D+01  0.124926D+02  0.144975D+02 -0.936307D+01  0.142522D+02
               126           127           128           129           130 
      1  -0.941666D+01 -0.533497D+02  0.219923D+02 -0.455680D+01  0.128363D+02
      2  -0.565798D+01  0.206814D+02 -0.188402D+02  0.696251D+00 -0.103444D+02
      3   0.150746D+02  0.326683D+02 -0.315210D+01  0.386055D+01 -0.249187D+01
      4  -0.126381D+02  0.277004D+02  0.651819D+01 -0.486291D+01  0.126740D+02
      5  -0.222067D+02 -0.579505D+01 -0.178180D+01  0.109796D+02 -0.513358D+01
      6   0.190771D+02 -0.239215D+01  0.795898D+01 -0.583382D+01  0.667889D+01
               131           132           133           134           135 
      1   0.229924D+02 -0.839207D+00  0.373869D+01 -0.235860D+01  0.764773D+01
      2  -0.243247D+02  0.153942D+02 -0.343839D+01  0.120822D+02  0.795822D+01
      3   0.133228D+01 -0.145550D+02 -0.300304D+00 -0.972356D+01 -0.156060D+02
      4   0.470397D+01 -0.413058D+01 -0.154554D+02  0.152582D+01 -0.227045D+02
      5  -0.190713D+00 -0.152346D+02  0.188521D+02 -0.191192D+02 -0.247934D+01
      6   0.875997D+01  0.537099D+01 -0.127464D+02  0.825612D+01 -0.496307D+01
               136           137           138           139           140 
      1   0.468041D+01  0.342387D+01 -0.380172D+01  0.159130D+01 -0.500976D+01
      2  -0.463573D+01 -0.231175D+01  0.226988D+01 -0.140782D+01  0.129474D+01
      3  -0.446780D-01 -0.111212D+01  0.153184D+01 -0.183482D+00  0.371502D+01
      4   0.395683D+01  0.141289D+01 -0.287447D+01  0.434217D+01  0.355331D+01
      5  -0.488036D+01 -0.244187D+01  0.645064D+01 -0.335458D+01 -0.512434D+01
      6  -0.263731D+01 -0.434911D+00 -0.636885D-01 -0.220657D+01 -0.613277D+01
               141           142           143           144           145 
      1   0.347010D+01 -0.369941D+01  0.445487D+01 -0.134060D+02  0.659733D+02
      2  -0.118697D+00  0.807435D+01  0.192203D+01 -0.194993D+02 -0.318797D+02
      3  -0.335140D+01 -0.437494D+01 -0.637690D+01  0.329053D+02 -0.340936D+02
      4  -0.602095D+01 -0.622850D+01 -0.942389D+01  0.120307D+02  0.258582D+02
      5   0.664029D+01  0.157707D+02  0.109350D+02 -0.373122D+02  0.189727D+01
      6   0.107427D+02  0.621020D+01  0.104951D+02 -0.219407D+02  0.833468D+00
               146           147           148           149           150 
      1   0.984957D+01  0.603939D+01  0.561345D+01  0.554842D+01  0.100234D+00
      2  -0.287323D+01 -0.202233D+01 -0.303039D+00 -0.328386D+00  0.127993D+01
      3  -0.697634D+01 -0.401706D+01 -0.531041D+01 -0.522004D+01 -0.138017D+01
      4   0.146198D+02  0.137582D+01  0.124667D+02  0.517767D+01  0.185240D+01
      5  -0.498410D+00  0.932999D+01 -0.286127D+00  0.153590D+01  0.161217D+01
      6  -0.329211D+00  0.255291D+01 -0.325348D+00  0.824552D+00  0.212030D+01
               151           152           153           154           155 
      1   0.159411D+02  0.218451D+01  0.556138D+01 -0.319079D+00  0.498797D+01
      2  -0.768616D+01  0.111356D+01 -0.499716D+01  0.309754D+01 -0.575346D+01
      3  -0.825495D+01 -0.329807D+01 -0.564221D+00 -0.277846D+01  0.765491D+00
      4   0.702052D+01  0.470775D+01  0.424173D+01  0.126871D+01  0.779117D+01
      5   0.100155D+02  0.292596D+01  0.233961D+01 -0.521987D+00 -0.598351D+00
      6   0.271648D+01  0.188819D+01 -0.221732D+00 -0.258669D+01  0.117648D+01
               156           157           158           159           160 
      1  -0.205575D+01 -0.427625D+01 -0.396896D+02  0.725341D+01 -0.116585D+01
      2   0.148454D+01  0.795370D+01  0.643758D+02 -0.113976D+02 -0.145005D+01
      3   0.571203D+00 -0.367744D+01 -0.246862D+02  0.414423D+01  0.261590D+01
      4  -0.165742D+01  0.996157D+01  0.182002D+02 -0.297117D+01 -0.363387D+01
      5   0.289977D+01 -0.129986D+01 -0.272199D+01  0.280898D+01  0.373614D+01
      6   0.110680D+00 -0.224700D+01 -0.153450D+02  0.103383D+02  0.442872D+01
               161           162           163           164           165 
      1   0.134139D+02 -0.835735D+01  0.205500D+01 -0.121962D+01 -0.115551D+00
      2  -0.204475D+02  0.877849D+01 -0.360988D+01  0.135909D+01  0.131039D+00
      3   0.703355D+01 -0.421137D+00  0.155488D+01 -0.139461D+00 -0.154875D-01
      4  -0.598301D+01  0.404127D+01  0.703420D+01  0.679491D+01  0.609806D+01
      5   0.407797D+01 -0.392154D+00  0.688576D+01  0.467795D+01  0.100741D+02
      6   0.151171D+02 -0.619176D+01  0.652292D+01  0.439646D+01  0.682236D+01
               166           167           168           169           170 
      1  -0.430436D+01 -0.108271D+02 -0.476700D+01 -0.424826D+01 -0.112259D+02
      2   0.563708D+01  0.126282D+02  0.387066D+01  0.196482D+00  0.691259D+01
      3  -0.133272D+01 -0.180109D+01  0.896335D+00  0.405178D+01  0.431331D+01
      4   0.502858D+01  0.773398D+01  0.477928D+01  0.120425D+02  0.106104D+02
      5   0.261416D+01  0.476885D+01  0.408660D+01  0.135469D+02  0.115983D+02
      6   0.419864D+01  0.746298D+01  0.923944D+01  0.133927D+02  0.197225D+02
               171           172           173           174           175 
      1  -0.170453D+02  0.361471D+01 -0.107302D+01  0.518724D+01  0.300742D+01
      2   0.117636D+01 -0.367934D+01  0.186608D+01 -0.920836D-01 -0.216433D+01
      3   0.158689D+02  0.646300D-01 -0.793060D+00 -0.509516D+01 -0.843091D+00
      4   0.112965D+02 -0.655938D+00 -0.138565D+01 -0.657712D+00 -0.161734D+01
      5   0.204850D+02  0.211718D+01  0.109309D+01  0.213911D+00  0.448538D+01
      6   0.295501D+02  0.378811D+00 -0.162010D+01  0.190559D+01 -0.731211D+00
               176           177           178           179           180 
      1  -0.472392D+01 -0.313039D+01  0.507951D+01 -0.140659D+01 -0.131482D+02
      2  -0.170232D+00 -0.896922D+01 -0.341035D+01 -0.711550D+01 -0.174968D+02
      3   0.489415D+01  0.120996D+02 -0.166915D+01  0.852209D+01  0.306450D+02
      4   0.595422D+01  0.546245D+01 -0.199131D+01  0.741790D+01  0.744277D+01
      5   0.380749D+01  0.116672D+02  0.660506D+01  0.471418D+01  0.229717D+02
      6   0.199300D+01  0.565688D+00 -0.402800D+00  0.364110D+01 -0.534512D+01
               181           182           183           184           185 
      1   0.767546D+02 -0.134335D+02  0.179761D+01 -0.537311D+01  0.397353D+01
      2  -0.350356D+02  0.252629D+01 -0.317323D+01 -0.626108D+00  0.182827D+01
      3  -0.417189D+02  0.109072D+02  0.137562D+01  0.599922D+01 -0.580180D+01
      4  -0.421285D+02  0.199034D+02 -0.287733D+01  0.141100D+02 -0.909431D+01
      5   0.183678D+02 -0.463230D+01  0.119095D+02 -0.120574D+01  0.159000D+01
      6  -0.331734D+01  0.299865D+01 -0.491281D+01  0.117081D+01 -0.192792D+01
               186           187           188           189           190 
      1   0.110894D+00 -0.611439D+01  0.909502D+00  0.497737D+01 -0.242033D+00
      2  -0.110287D+01  0.102649D+01 -0.178799D+00 -0.446754D+01  0.357716D+01
      3   0.991976D+00  0.508791D+01 -0.730704D+00 -0.509835D+00 -0.333512D+01
      4   0.922670D+00  0.429827D+01 -0.221116D+01 -0.160456D+01 -0.106300D+01
      5  -0.914806D-01  0.836616D+01 -0.518839D+00  0.461020D+00 -0.892359D+00
      6   0.145719D+01 -0.302433D+01  0.123089D+01  0.476231D+00 -0.131138D+01
               191           192           193           194           195 
      1  -0.123255D+02  0.407012D+01 -0.879215D+01 -0.301475D+02  0.787716D+01
      2   0.137541D+02 -0.230002D+01  0.579489D+01  0.433158D+02 -0.765674D+01
      3  -0.142861D+01 -0.177010D+01  0.299726D+01 -0.131684D+02 -0.220417D+00
      4  -0.208040D+01  0.133926D+01  0.626147D+01 -0.246203D+02  0.638079D+01
      5  -0.230342D+00 -0.203536D+01 -0.347685D+01  0.415993D+01 -0.413076D+01
      6  -0.610215D+01  0.440205D+01 -0.887459D+00 -0.187092D+02  0.111551D+02
               196           197           198 
      1   0.764494D+00  0.577735D+01 -0.688853D+01
      2  -0.351213D+00 -0.498620D+01  0.348946D+01
      3  -0.413280D+00 -0.791148D+00  0.339907D+01
      4   0.744109D+00  0.346677D+01 -0.129452D+01
      5   0.840168D+00 -0.193525D+01  0.281620D+01
      6   0.171097D+01  0.921654D+01 -0.486004D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 00:29:21 2021, MaxMem= 10737418240 cpu:           33605.2 elap:            2103.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30054 -10.29644 -10.29525 -10.29496 -10.29465
 Alpha  occ. eigenvalues --  -10.29452 -10.29432 -10.29358 -10.29083 -10.28469
 Alpha  occ. eigenvalues --   -0.97699  -0.91696  -0.86359  -0.82604  -0.81073
 Alpha  occ. eigenvalues --   -0.74922  -0.70362  -0.66883  -0.65517  -0.59134
 Alpha  occ. eigenvalues --   -0.56585  -0.54582  -0.53679  -0.51202  -0.49912
 Alpha  occ. eigenvalues --   -0.48544  -0.47656  -0.46659  -0.45024  -0.43091
 Alpha  occ. eigenvalues --   -0.41702  -0.40801  -0.40501  -0.39995  -0.32359
 Alpha  occ. eigenvalues --   -0.30981
 Alpha virt. eigenvalues --    0.03623   0.04215   0.04358   0.04723   0.05489
 Alpha virt. eigenvalues --    0.05753   0.06019   0.06485   0.07054   0.07113
 Alpha virt. eigenvalues --    0.07675   0.08310   0.09105   0.09889   0.11238
 Alpha virt. eigenvalues --    0.11796   0.12492   0.13257   0.13423   0.13581
 Alpha virt. eigenvalues --    0.14571   0.14603   0.14960   0.15052   0.15250
 Alpha virt. eigenvalues --    0.16101   0.16581   0.16908   0.17429   0.17693
 Alpha virt. eigenvalues --    0.18048   0.18131   0.18697   0.19312   0.19526
 Alpha virt. eigenvalues --    0.20294   0.21112   0.21188   0.21562   0.21904
 Alpha virt. eigenvalues --    0.22656   0.22868   0.23711   0.24349   0.24592
 Alpha virt. eigenvalues --    0.25099   0.25961   0.26029   0.26430   0.27586
 Alpha virt. eigenvalues --    0.28517   0.28666   0.29222   0.30032   0.30481
 Alpha virt. eigenvalues --    0.30628   0.31023   0.31664   0.32110   0.33231
 Alpha virt. eigenvalues --    0.33612   0.33791   0.34335   0.34670   0.35658
 Alpha virt. eigenvalues --    0.36021   0.36877   0.37739   0.38201   0.38773
 Alpha virt. eigenvalues --    0.39174   0.39409   0.40540   0.41613   0.41907
 Alpha virt. eigenvalues --    0.42386   0.42616   0.43728   0.44389   0.45143
 Alpha virt. eigenvalues --    0.45732   0.46256   0.47174   0.47627   0.48214
 Alpha virt. eigenvalues --    0.48334   0.49010   0.50103   0.50930   0.51543
 Alpha virt. eigenvalues --    0.52585   0.53114   0.53756   0.54027   0.54699
 Alpha virt. eigenvalues --    0.55120   0.55773   0.56177   0.57312   0.58088
 Alpha virt. eigenvalues --    0.58845   0.59180   0.60010   0.60404   0.61112
 Alpha virt. eigenvalues --    0.61876   0.61949   0.62807   0.63357   0.63472
 Alpha virt. eigenvalues --    0.64303   0.64503   0.65331   0.65989   0.66628
 Alpha virt. eigenvalues --    0.66966   0.67788   0.68091   0.69207   0.69518
 Alpha virt. eigenvalues --    0.70546   0.71448   0.72284   0.72367   0.73080
 Alpha virt. eigenvalues --    0.73633   0.74128   0.74756   0.75388   0.75731
 Alpha virt. eigenvalues --    0.75986   0.77583   0.77762   0.78709   0.79342
 Alpha virt. eigenvalues --    0.80108   0.80717   0.81521   0.81730   0.82991
 Alpha virt. eigenvalues --    0.83870   0.84919   0.85511   0.86016   0.86634
 Alpha virt. eigenvalues --    0.86676   0.87360   0.88157   0.88953   0.89455
 Alpha virt. eigenvalues --    0.90436   0.91481   0.93024   0.93463   0.94298
 Alpha virt. eigenvalues --    0.96277   0.97204   0.98698   0.99398   1.00634
 Alpha virt. eigenvalues --    1.02665   1.03569   1.04549   1.05763   1.07145
 Alpha virt. eigenvalues --    1.07955   1.09637   1.10096   1.10506   1.12324
 Alpha virt. eigenvalues --    1.12715   1.14851   1.15154   1.17364   1.19080
 Alpha virt. eigenvalues --    1.22302   1.24331   1.25704   1.27457   1.27901
 Alpha virt. eigenvalues --    1.31782   1.33168   1.36972   1.39796   1.40456
 Alpha virt. eigenvalues --    1.41277   1.42943   1.43961   1.44620   1.45541
 Alpha virt. eigenvalues --    1.45897   1.46731   1.48345   1.49091   1.50795
 Alpha virt. eigenvalues --    1.51020   1.52655   1.55307   1.56481   1.58206
 Alpha virt. eigenvalues --    1.58439   1.59090   1.60509   1.63384   1.64386
 Alpha virt. eigenvalues --    1.64725   1.66054   1.67011   1.67973   1.68428
 Alpha virt. eigenvalues --    1.70868   1.71828   1.72904   1.74538   1.76771
 Alpha virt. eigenvalues --    1.77754   1.78219   1.79059   1.79518   1.80641
 Alpha virt. eigenvalues --    1.82064   1.83331   1.85271   1.86149   1.86617
 Alpha virt. eigenvalues --    1.88552   1.90373   1.90828   1.92610   1.93374
 Alpha virt. eigenvalues --    1.94174   1.94998   1.96201   1.96984   1.98667
 Alpha virt. eigenvalues --    1.99708   2.00941   2.03136   2.05871   2.06371
 Alpha virt. eigenvalues --    2.07470   2.08294   2.09115   2.10678   2.11079
 Alpha virt. eigenvalues --    2.11221   2.14009   2.15087   2.17452   2.18687
 Alpha virt. eigenvalues --    2.19144   2.21162   2.22894   2.23564   2.26117
 Alpha virt. eigenvalues --    2.27357   2.28671   2.30533   2.31240   2.32736
 Alpha virt. eigenvalues --    2.33317   2.34870   2.36194   2.40083   2.41772
 Alpha virt. eigenvalues --    2.42413   2.45633   2.47842   2.48777   2.51173
 Alpha virt. eigenvalues --    2.51899   2.55683   2.58539   2.61347   2.62475
 Alpha virt. eigenvalues --    2.63437   2.64240   2.66712   2.68462   2.71540
 Alpha virt. eigenvalues --    2.72386   2.75783   2.79614   2.83037   2.83749
 Alpha virt. eigenvalues --    2.87129   2.89402   2.91315   2.94322   2.96971
 Alpha virt. eigenvalues --    3.02482   3.05778   3.10570   3.13368   3.15037
 Alpha virt. eigenvalues --    3.19635   3.48253   3.61224   3.65943   3.79780
 Alpha virt. eigenvalues --    3.97880   4.76809
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.672188  -5.369573  -6.859061   4.143363  -4.593047   5.273133
     2  C   -5.369573  13.247035   5.628085  -5.154993   3.553232  -5.941687
     3  C   -6.859061   5.628085  25.309106 -13.014284   5.667686  -7.867896
     4  C    4.143363  -5.154993 -13.014284  25.710919 -11.015367   6.209336
     5  C   -4.593047   3.553232   5.667686 -11.015367  23.224608 -10.382555
     6  C    5.273133  -5.941687  -7.867896   6.209336 -10.382555  22.370950
     7  C    0.069640  -0.037136  -2.440538   0.566031  -3.171413   0.204647
     8  C   -0.066095  -0.085241  -0.347794  -0.376062  -0.243471  -0.154244
     9  C   -0.234692   0.405123   0.950494  -3.341285   1.976587  -3.446353
    10  H   -1.641150   0.821685   0.764238  -0.142719   0.027621  -0.250733
    11  H    0.839986  -1.540747  -0.223755   0.035313  -0.170392   0.676063
    12  H    0.787531  -0.328444  -2.572892   1.546617  -0.575269   0.299744
    13  H   -0.311233   0.586424   0.212809  -0.267793   1.195395  -2.061685
    14  H   -0.075857   0.048011   0.274048   0.118200   0.315179  -0.081672
    15  C    0.115970  -0.053144  -0.305953  -0.076188   0.016121   0.116240
    16  H   -0.003496  -0.010064   0.133053  -0.096792  -0.063434  -0.043225
    17  H    0.014110  -0.007389  -0.106654   0.364164   0.017829   0.047719
    18  H    0.048056  -0.108021  -0.107513   0.372800   0.121693   0.141247
    19  H   -0.036033   0.031458   0.119938   0.021260   0.126681  -0.064492
    20  H   -0.006387   0.003233   0.085661  -0.316522   0.157365   0.028132
    21  H   -0.003274  -0.001553  -0.065180   0.294787  -0.088567   0.009781
    22  H    0.044720   0.012267   0.067969  -0.145039  -0.008783  -0.041512
               7          8          9         10         11         12
     1  C    0.069640  -0.066095  -0.234692  -1.641150   0.839986   0.787531
     2  C   -0.037136  -0.085241   0.405123   0.821685  -1.540747  -0.328444
     3  C   -2.440538  -0.347794   0.950494   0.764238  -0.223755  -2.572892
     4  C    0.566031  -0.376062  -3.341285  -0.142719   0.035313   1.546617
     5  C   -3.171413  -0.243471   1.976587   0.027621  -0.170392  -0.575269
     6  C    0.204647  -0.154244  -3.446353  -0.250733   0.676063   0.299744
     7  C   12.527463  -0.078124  -0.888024   0.056565  -0.038537   0.138554
     8  C   -0.078124   6.294866   0.368620   0.004149   0.008350   0.009971
     9  C   -0.888024   0.368620  10.224376  -0.027965   0.040131  -0.042023
    10  H    0.056565   0.004149  -0.027965   2.340865  -0.129838  -0.148082
    11  H   -0.038537   0.008350   0.040131  -0.129838   2.326263  -0.025932
    12  H    0.138554   0.009971  -0.042023  -0.148082  -0.025932   2.638009
    13  H    0.018681  -0.014890   0.144551  -0.022028  -0.147086   0.016888
    14  H   -1.327083   0.150669   0.087687  -0.003021   0.001306  -0.008405
    15  C    0.487011  -0.175063  -0.142327   0.001403   0.000375   0.091569
    16  H    0.467345  -0.223177  -0.151648  -0.000557   0.000090   0.002769
    17  H   -0.411892  -0.295267   0.248323   0.000698   0.000542  -0.003972
    18  H    0.025468   0.111781  -0.652359   0.001671  -0.001701  -0.006692
    19  H    0.078931  -0.111040   0.011892  -0.000905  -0.000701  -0.001430
    20  H    0.022559  -0.093398  -0.108084  -0.000444   0.000590   0.010329
    21  H   -0.266033   0.103507   0.042600   0.000298  -0.000153   0.004123
    22  H    0.223847  -0.070322   0.013445   0.000312   0.000597  -0.034013
              13         14         15         16         17         18
     1  C   -0.311233  -0.075857   0.115970  -0.003496   0.014110   0.048056
     2  C    0.586424   0.048011  -0.053144  -0.010064  -0.007389  -0.108021
     3  C    0.212809   0.274048  -0.305953   0.133053  -0.106654  -0.107513
     4  C   -0.267793   0.118200  -0.076188  -0.096792   0.364164   0.372800
     5  C    1.195395   0.315179   0.016121  -0.063434   0.017829   0.121693
     6  C   -2.061685  -0.081672   0.116240  -0.043225   0.047719   0.141247
     7  C    0.018681  -1.327083   0.487011   0.467345  -0.411892   0.025468
     8  C   -0.014890   0.150669  -0.175063  -0.223177  -0.295267   0.111781
     9  C    0.144551   0.087687  -0.142327  -0.151648   0.248323  -0.652359
    10  H   -0.022028  -0.003021   0.001403  -0.000557   0.000698   0.001671
    11  H   -0.147086   0.001306   0.000375   0.000090   0.000542  -0.001701
    12  H    0.016888  -0.008405   0.091569   0.002769  -0.003972  -0.006692
    13  H    2.385608  -0.004047   0.002448   0.000610   0.001228  -0.011341
    14  H   -0.004047   2.122243  -0.024436  -0.192972   0.049613   0.023616
    15  C    0.002448  -0.024436   4.459598   0.069193  -0.070673   0.007423
    16  H    0.000610  -0.192972   0.069193   2.077295  -0.538658  -0.200361
    17  H    0.001228   0.049613  -0.070673  -0.538658   2.300437   0.072927
    18  H   -0.011341   0.023616   0.007423  -0.200361   0.072927   1.788180
    19  H    0.007963  -0.015433   0.004540   0.137311  -0.248506  -0.408639
    20  H   -0.001027   0.084221   0.334000  -0.002297  -0.038482   0.004477
    21  H    0.000578  -0.041980   0.174103   0.038242  -0.038977  -0.002012
    22  H   -0.000866  -0.035642   0.165192  -0.008744   0.021529   0.001435
              19         20         21         22
     1  C   -0.036033  -0.006387  -0.003274   0.044720
     2  C    0.031458   0.003233  -0.001553   0.012267
     3  C    0.119938   0.085661  -0.065180   0.067969
     4  C    0.021260  -0.316522   0.294787  -0.145039
     5  C    0.126681   0.157365  -0.088567  -0.008783
     6  C   -0.064492   0.028132   0.009781  -0.041512
     7  C    0.078931   0.022559  -0.266033   0.223847
     8  C   -0.111040  -0.093398   0.103507  -0.070322
     9  C    0.011892  -0.108084   0.042600   0.013445
    10  H   -0.000905  -0.000444   0.000298   0.000312
    11  H   -0.000701   0.000590  -0.000153   0.000597
    12  H   -0.001430   0.010329   0.004123  -0.034013
    13  H    0.007963  -0.001027   0.000578  -0.000866
    14  H   -0.015433   0.084221  -0.041980  -0.035642
    15  C    0.004540   0.334000   0.174103   0.165192
    16  H    0.137311  -0.002297   0.038242  -0.008744
    17  H   -0.248506  -0.038482  -0.038977   0.021529
    18  H   -0.408639   0.004477  -0.002012   0.001435
    19  H    1.460110  -0.008479   0.012502  -0.001626
    20  H   -0.008479   1.674185  -0.319203  -0.354103
    21  H    0.012502  -0.319203   1.705949  -0.332382
    22  H   -0.001626  -0.354103  -0.332382   1.698989
 Mulliken charges:
               1
     1  C    0.191201
     2  C    0.301435
     3  C    0.698435
     4  C    0.564254
     5  C   -0.087698
     6  C    0.959063
     7  C   -0.227963
     8  C    1.282273
     9  C    0.520931
    10  H   -0.652063
    11  H   -0.650761
    12  H   -0.798950
    13  H   -0.731188
    14  H   -0.464246
    15  C    0.802597
    16  H   -0.390483
    17  H   -0.378650
    18  H   -0.222136
    19  H   -0.115303
    20  H   -0.156325
    21  H   -0.227155
    22  H   -0.217267
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.460862
     2  C   -0.349327
     3  C   -0.100515
     4  C    0.564254
     5  C   -0.087698
     6  C    0.227874
     7  C   -0.692208
     8  C    0.513140
     9  C    0.183492
    15  C    0.201849
 Electronic spatial extent (au):  <R**2>=           1393.0780
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6596    Y=              0.1248    Z=             -0.0166  Tot=              0.6715
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.7188   YY=            -57.2027   ZZ=            -63.4001
   XY=              0.1188   XZ=             -0.7109   YZ=              1.4202
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7217   YY=              2.2378   ZZ=             -3.9595
   XY=              0.1188   XZ=             -0.7109   YZ=              1.4202
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.4819  YYY=             -0.4039  ZZZ=             -0.5979  XYY=             -3.3545
  XXY=             -0.5057  XXZ=              1.7476  XZZ=              7.3896  YZZ=              1.6662
  YYZ=             -1.4944  XYZ=             -1.4981
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1141.8190 YYYY=           -559.2697 ZZZZ=           -171.1854 XXXY=              1.7145
 XXXZ=             -7.5277 YYYX=              1.1305 YYYZ=              6.2056 ZZZX=             -2.3555
 ZZZY=              0.6851 XXYY=           -289.0752 XXZZ=           -243.3518 YYZZ=           -128.5606
 XXYZ=              8.0779 YYXZ=             -2.2378 ZZXY=              0.6993
 N-N= 5.059728505916D+02 E-N=-1.911139601783D+03  KE= 3.858324277392D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 00:29:21 2021, MaxMem= 10737418240 cpu:               6.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1693    1.1684        0.8425    0.8416
 2     -1.1693   -1.1684       -2.5776   -2.5784      -10.9458  -10.9378
 3     -0.8425   -0.8416       31.0674   31.0560        2.5789    2.5784
 4      2.5776    2.5784       -0.0000    0.0000       -0.8419   -0.8416
 5    -20.1217  -20.1182        0.8419    0.8416        1.1674    1.1684
 6     -2.5789   -2.5784       -1.1674   -1.1684       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.5052   -3.5052        2.5249    2.5249
 2      7.7351    7.7351       -0.0000    0.0000        2.5249    2.5249
 3      7.7351    7.7351       -3.5052   -3.5052       -0.0000    0.0000
 4     -3.5052   -3.5052       -7.7351   -7.7351      -32.8133  -32.8133
 5     -2.5249   -2.5249       93.1679   93.1679        7.7351    7.7351
 6    -60.3547  -60.3547        2.5249    2.5249        3.5052    3.5052
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0173    0.0000       -4.6546   -4.6736       -3.5084   -3.3666
 2      4.6970    4.6736       10.5906   10.3134       43.9841   43.7510
 3      3.4600    3.3666     -124.4456 -124.2239      -10.3815  -10.3134
 4    -10.5898  -10.3134       -0.0056    0.0000        3.3730    3.3666
 5     80.5056   80.4729       -3.2549   -3.3666       -4.6405   -4.6736
 6     10.2722   10.3134        4.7200    4.6736       -0.1010    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0320    0.0000        4.0574    4.2596       -7.6593   -7.7139
 2     -3.9884   -4.2596       45.6766   45.5657       34.4304   34.4958
 3      7.8258    7.7139       17.1286   17.1986      -45.2348  -45.5657
 4    -45.6082  -45.5657        0.0811    0.0000        7.8954    7.7139
 5    -51.4389  -51.6944       -7.8307   -7.7139        4.4398    4.2596
 6     45.6415   45.5657       -4.0946   -4.2596       -0.2177    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.2593   -4.4331       18.6185   18.3048       14.4525   14.2321
 2    -71.3190  -71.3346       19.5141   19.4105       14.6934   14.2321
 3    -71.2426  -71.3346       18.5877   18.3048       13.8001   13.4179
 4     -0.9875   -1.1057       67.0272   66.9015       33.9229   33.5641
 5     -0.9757   -0.8142       35.5214   35.1709      -66.0080  -66.9015
 6    -68.3666  -68.7350        0.9641    0.8142        1.5173    1.1057
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.6908                 3.4656                 1.1497
  Dep-P Fr= 1--      0.7456                 0.7338                 0.6121
  Dep-U Fr= 1--      0.8543                 0.8464                 0.7594
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0029
 Beta2  Fr= 1--      0.3831                 0.4889                 0.1455
 AlphaG Fr= 1--      0.0009                 0.0007                 0.0048
 Gamma2 Fr= 1--      1.3742                 0.4710                -0.2800
 Delta2 Fr= 1--      0.8039                 0.0243                 0.0323
 Raman1 Fr= 1--      10.763                 13.862                  4.599
 ROA1   Fr= 1--     157.650                 45.997                -25.847
 CID1   Fr= 1--      14.647                  3.318                 -5.620
 Raman2 Fr= 1--       4.597                  5.867                  1.746
 ROA2   Fr= 1--      26.549                 11.110                 -6.979
 CID2   Fr= 1--       5.775                  1.894                 -3.997
 Raman3 Fr= 1--       9.195                 11.734                  3.492
 ROA3   Fr= 1--     157.650                 45.997                -25.847
 CID3   Fr= 1--      17.146                  3.920                 -7.401
 RC180  Fr= 1--       0.709                  0.693                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0266                 0.6511                 0.6854
  Dep-P Fr= 1--      0.6521                 0.5116                 0.1870
  Dep-U Fr= 1--      0.7894                 0.6769                 0.3150
 Alpha2 Fr= 1--      0.0000                 0.0030                 0.0096
 Beta2  Fr= 1--      0.0035                 0.0735                 0.0360
 AlphaG Fr= 1--     -0.0003                -0.0039                 0.0018
 Gamma2 Fr= 1--     -0.0483                 0.2154                -1.0071
 Delta2 Fr= 1--      0.0218                 0.0516                -0.2001
 Raman1 Fr= 1--       0.106                  2.604                  2.742
 ROA1   Fr= 1--      -3.940                 22.331               -103.085
 CID1   Fr= 1--     -37.098                  8.574                -37.600
 Raman2 Fr= 1--       0.042                  0.882                  0.432
 ROA2   Fr= 1--      -1.333                  4.757                -22.569
 CID2   Fr= 1--     -31.804                  5.397                -52.264
 Raman3 Fr= 1--       0.084                  1.763                  0.864
 ROA3   Fr= 1--      -3.940                 22.331               -103.085
 CID3   Fr= 1--     -46.993                 12.666               -119.358
 RC180  Fr= 1--       0.579                  0.354                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5674                 0.6918                11.5334
  Dep-P Fr= 1--      0.7446                 0.3907                 0.1826
  Dep-U Fr= 1--      0.8536                 0.5619                 0.3088
 Alpha2 Fr= 1--      0.0001                 0.0053                 0.1640
 Beta2  Fr= 1--      0.0807                 0.0648                 0.5937
 AlphaG Fr= 1--     -0.0006                 0.0040                 0.0048
 Gamma2 Fr= 1--      0.3496                 0.4228                -1.3880
 Delta2 Fr= 1--      0.0272                 0.1952                -0.1254
 Raman1 Fr= 1--       2.270                  2.767                 46.134
 ROA1   Fr= 1--      34.435                 46.839               -137.257
 CID1   Fr= 1--      15.171                 16.927                 -2.975
 Raman2 Fr= 1--       0.969                  0.777                  7.124
 ROA2   Fr= 1--       8.174                  8.587                -32.308
 CID2   Fr= 1--       8.438                 11.045                 -4.535
 Raman3 Fr= 1--       1.937                  1.555                 14.248
 ROA3   Fr= 1--      34.435                 46.839               -137.257
 CID3   Fr= 1--      17.773                 30.126                 -9.634
 RC180  Fr= 1--       0.707                  0.124                 -0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7410                 3.1950                 0.4289
  Dep-P Fr= 1--      0.7268                 0.7177                 0.0858
  Dep-U Fr= 1--      0.8418                 0.8356                 0.1581
 Alpha2 Fr= 1--      0.0003                 0.0018                 0.0078
 Beta2  Fr= 1--      0.1040                 0.4450                 0.0113
 AlphaG Fr= 1--      0.0041                 0.0058                -0.0179
 Gamma2 Fr= 1--      0.8175                -0.1335                 0.1757
 Delta2 Fr= 1--      0.1441                 0.2028                -0.0885
 Raman1 Fr= 1--       2.964                 12.780                  1.716
 ROA1   Fr= 1--      83.086                 -6.325                 14.038
 CID1   Fr= 1--      28.032                 -0.495                  8.182
 Raman2 Fr= 1--       1.248                  5.340                  0.136
 ROA2   Fr= 1--      18.466                 -4.826                  4.926
 CID2   Fr= 1--      14.802                 -0.904                 36.317
 Raman3 Fr= 1--       2.495                 10.680                  0.271
 ROA3   Fr= 1--      83.086                 -6.325                 14.038
 CID3   Fr= 1--      33.300                 -0.592                 51.747
 RC180  Fr= 1--       0.684                  0.671                 -0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      5.4542                 8.9833                18.1773
  Dep-P Fr= 1--      0.0683                 0.1160                 0.0620
  Dep-U Fr= 1--      0.1278                 0.2078                 0.1167
 Alpha2 Fr= 1--      0.1031                 0.1512                 0.3490
 Beta2  Fr= 1--      0.1162                 0.3111                 0.3535
 AlphaG Fr= 1--      0.0633                 0.0184                 0.0178
 Gamma2 Fr= 1--      0.1664                -1.0492                -0.9261
 Delta2 Fr= 1--      0.1568                -0.1299                -0.0392
 Raman1 Fr= 1--      21.817                 35.933                 72.709
 ROA1   Fr= 1--      20.992               -104.881                -90.161
 CID1   Fr= 1--       0.962                 -2.919                 -1.240
 Raman2 Fr= 1--       1.394                  3.734                  4.242
 ROA2   Fr= 1--       2.740                -24.143                -21.913
 CID2   Fr= 1--       1.965                 -6.466                 -5.166
 Raman3 Fr= 1--       2.788                  7.467                  8.484
 ROA3   Fr= 1--      20.992               -104.881                -90.161
 CID3   Fr= 1--       7.530                -14.045                -10.627
 RC180  Fr= 1--      -0.744                 -0.584                 -0.767
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.8008                 7.6699                 1.9767
  Dep-P Fr= 1--      0.5639                 0.0895                 0.7411
  Dep-U Fr= 1--      0.7211                 0.1644                 0.8513
 Alpha2 Fr= 1--      0.0028                 0.1378                 0.0003
 Beta2  Fr= 1--      0.0963                 0.2101                 0.2805
 AlphaG Fr= 1--     -0.0142                -0.0112                -0.0028
 Gamma2 Fr= 1--      1.5264                 0.1205                 0.2047
 Delta2 Fr= 1--      0.4783                 0.2264                 0.1300
 Raman1 Fr= 1--       3.203                 30.680                  7.907
 ROA1   Fr= 1--     161.839                 18.809                 23.811
 CID1   Fr= 1--      50.521                  0.613                  3.011
 Raman2 Fr= 1--       1.155                  2.521                  3.366
 ROA2   Fr= 1--      32.807                  1.080                  3.872
 CID2   Fr= 1--      28.403                  0.428                  1.150
 Raman3 Fr= 1--       2.310                  5.042                  6.731
 ROA3   Fr= 1--     161.839                 18.809                 23.811
 CID3   Fr= 1--      70.058                  3.730                  3.537
 RC180  Fr= 1--       0.442                 -0.671                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.7266                 0.2091                 1.3691
  Dep-P Fr= 1--      0.7500                 0.5975                 0.3746
  Dep-U Fr= 1--      0.8571                 0.7481                 0.5450
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0111
 Beta2  Fr= 1--      0.2466                 0.0261                 0.1244
 AlphaG Fr= 1--      0.0003                 0.0031                 0.0142
 Gamma2 Fr= 1--     -0.1368                 0.1577                 0.0284
 Delta2 Fr= 1--     -0.2548                -0.0172                 0.1748
 Raman1 Fr= 1--       6.906                  0.836                  5.476
 ROA1   Fr= 1--     -21.286                 14.589                  8.318
 CID1   Fr= 1--      -3.082                 17.442                  1.519
 Raman2 Fr= 1--       2.960                  0.313                  1.492
 ROA2   Fr= 1--      -1.244                  3.922                 -0.717
 CID2   Fr= 1--      -0.420                 12.536                 -0.480
 Raman3 Fr= 1--       5.920                  0.626                  2.985
 ROA3   Fr= 1--     -21.286                 14.589                  8.318
 CID3   Fr= 1--      -3.596                 23.316                  2.787
 RC180  Fr= 1--       0.714                  0.496                  0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.7290                 4.8702                 9.1100
  Dep-P Fr= 1--      0.2753                 0.7105                 0.1659
  Dep-U Fr= 1--      0.4318                 0.8308                 0.2846
 Alpha2 Fr= 1--      0.0301                 0.0033                 0.1352
 Beta2  Fr= 1--      0.1964                 0.6743                 0.4321
 AlphaG Fr= 1--     -0.0800                -0.0083                 0.1688
 Gamma2 Fr= 1--      1.0596                -1.2341                -1.0829
 Delta2 Fr= 1--     -0.1206                -1.0533                -0.7309
 Raman1 Fr= 1--      10.916                 19.481                 36.440
 ROA1   Fr= 1--      97.864               -152.184               -127.344
 CID1   Fr= 1--       8.965                 -7.812                 -3.495
 Raman2 Fr= 1--       2.357                  8.092                  5.186
 ROA2   Fr= 1--      26.396                -21.193                -20.142
 CID2   Fr= 1--      11.201                 -2.619                 -3.884
 Raman3 Fr= 1--       4.713                 16.184                 10.372
 ROA3   Fr= 1--      97.864               -152.184               -127.344
 CID3   Fr= 1--      20.765                 -9.403                -12.278
 RC180  Fr= 1--      -0.136                  0.662                 -0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     39.7479                 6.7589                 0.3030
  Dep-P Fr= 1--      0.0395                 0.3667                 0.3908
  Dep-U Fr= 1--      0.0760                 0.5366                 0.5619
 Alpha2 Fr= 1--      0.8050                 0.0562                 0.0023
 Beta2  Fr= 1--      0.5033                 0.6045                 0.0284
 AlphaG Fr= 1--      0.0136                -0.0190                 0.0002
 Gamma2 Fr= 1--      0.5889                -0.3111                -0.5134
 Delta2 Fr= 1--      0.2825                 1.5117                -0.4071
 Raman1 Fr= 1--     158.992                 27.036                  1.212
 ROA1   Fr= 1--      65.573                 18.513                -62.316
 CID1   Fr= 1--       0.412                  0.685                -51.422
 Raman2 Fr= 1--       6.039                  7.254                  0.340
 ROA2   Fr= 1--      11.874                -19.559                 -9.065
 CID2   Fr= 1--       1.966                 -2.696                -26.624
 Raman3 Fr= 1--      12.078                 14.507                  0.681
 ROA3   Fr= 1--      65.573                 18.513                -62.316
 CID3   Fr= 1--       5.429                  1.276                -91.509
 RC180  Fr= 1--      -0.848                  0.073                  0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.4617                 4.9223                 1.1043
  Dep-P Fr= 1--      0.4124                 0.3606                 0.2789
  Dep-U Fr= 1--      0.5840                 0.5301                 0.4362
 Alpha2 Fr= 1--      0.0104                 0.0417                 0.0121
 Beta2  Fr= 1--      0.1423                 0.4349                 0.0803
 AlphaG Fr= 1--      0.0130                -0.0343                -0.0109
 Gamma2 Fr= 1--     -0.2866                -0.4039                 0.5894
 Delta2 Fr= 1--      0.0761                -0.0203                 0.3178
 Raman1 Fr= 1--       5.847                 19.689                  4.417
 ROA1   Fr= 1--     -25.077                -39.427                 66.750
 CID1   Fr= 1--      -4.289                 -2.002                 15.112
 Raman2 Fr= 1--       1.707                  5.219                  0.963
 ROA2   Fr= 1--      -7.488                 -9.532                 11.603
 CID2   Fr= 1--      -4.386                 -1.827                 12.045
 Raman3 Fr= 1--       3.414                 10.437                  1.927
 ROA3   Fr= 1--     -25.077                -39.427                 66.750
 CID3   Fr= 1--      -7.344                 -3.778                 34.646
 RC180  Fr= 1--       0.168                  0.060                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.5759                 2.7929                33.2318
  Dep-P Fr= 1--      0.7427                 0.4546                 0.0934
  Dep-U Fr= 1--      0.8523                 0.6250                 0.1708
 Alpha2 Fr= 1--      0.0003                 0.0168                 0.5913
 Beta2  Fr= 1--      0.3659                 0.2909                 0.9462
 AlphaG Fr= 1--      0.0038                -0.0701                -0.0763
 Gamma2 Fr= 1--      0.3686                 0.8279                 0.5975
 Delta2 Fr= 1--     -0.0180                -1.1974                 0.7559
 Raman1 Fr= 1--      10.304                 11.172                132.927
 ROA1   Fr= 1--      34.815                 41.158                 81.546
 CID1   Fr= 1--       3.379                  3.684                  0.613
 Raman2 Fr= 1--       4.391                  3.491                 11.355
 ROA2   Fr= 1--       8.991                 29.448                  8.292
 CID2   Fr= 1--       2.048                  8.435                  0.730
 Raman3 Fr= 1--       8.782                  6.983                 22.709
 ROA3   Fr= 1--      34.815                 41.158                 81.546
 CID3   Fr= 1--       3.964                  5.894                  3.591
 RC180  Fr= 1--       0.705                  0.250                 -0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      3.8947                 8.3539                 2.2852
  Dep-P Fr= 1--      0.2115                 0.1394                 0.7178
  Dep-U Fr= 1--      0.3492                 0.2447                 0.8357
 Alpha2 Fr= 1--      0.0513                 0.1326                 0.0013
 Beta2  Fr= 1--      0.2266                 0.3407                 0.3183
 AlphaG Fr= 1--     -0.0848                 0.0175                -0.0041
 Gamma2 Fr= 1--      2.3782                -1.2405                 0.4894
 Delta2 Fr= 1--     -0.1596                 0.3688                 0.8298
 Raman1 Fr= 1--      15.579                 33.415                  9.141
 ROA1   Fr= 1--     223.199               -107.291                 73.533
 CID1   Fr= 1--      14.327                 -3.211                  8.044
 Raman2 Fr= 1--       2.720                  4.089                  3.820
 ROA2   Fr= 1--      58.353                -32.723                  5.107
 CID2   Fr= 1--      21.455                 -8.003                  1.337
 Raman3 Fr= 1--       5.439                  8.178                  7.639
 ROA3   Fr= 1--     223.199               -107.291                 73.533
 CID3   Fr= 1--      41.033                -13.120                  9.626
 RC180  Fr= 1--      -0.302                 -0.511                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.5850                 7.7297                 8.7986
  Dep-P Fr= 1--      0.4331                 0.5973                 0.0845
  Dep-U Fr= 1--      0.6045                 0.7479                 0.1558
 Alpha2 Fr= 1--      0.0038                 0.0219                 0.1600
 Beta2  Fr= 1--      0.0589                 0.9635                 0.2284
 AlphaG Fr= 1--      0.0101                -0.0502                -0.0273
 Gamma2 Fr= 1--     -0.4285                -1.4092                -0.8036
 Delta2 Fr= 1--     -0.2206                 0.1128                -0.4849
 Raman1 Fr= 1--       2.340                 30.919                 35.194
 ROA1   Fr= 1--     -48.201               -131.674                -92.660
 CID1   Fr= 1--     -20.599                 -4.259                 -2.633
 Raman2 Fr= 1--       0.707                 11.561                  2.741
 ROA2   Fr= 1--      -8.520                -34.723                -15.406
 CID2   Fr= 1--     -12.048                 -3.003                 -5.620
 Raman3 Fr= 1--       1.414                 23.123                  5.482
 ROA3   Fr= 1--     -48.201               -131.674                -92.660
 CID3   Fr= 1--     -34.079                 -5.694                -16.902
 RC180  Fr= 1--       0.209                  0.496                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.6304                11.0319                 2.9439
  Dep-P Fr= 1--      0.6525                 0.5895                 0.5649
  Dep-U Fr= 1--      0.7897                 0.7417                 0.7219
 Alpha2 Fr= 1--      0.0011                 0.0330                 0.0103
 Beta2  Fr= 1--      0.0830                 1.3638                 0.3542
 AlphaG Fr= 1--     -0.0054                -0.0196                -0.0168
 Gamma2 Fr= 1--     -0.0069                 0.0256                -2.5513
 Delta2 Fr= 1--      0.1151                 0.8702                 2.2642
 Raman1 Fr= 1--       2.521                 44.128                 11.776
 ROA1   Fr= 1--       3.024                 30.299               -172.470
 CID1   Fr= 1--       1.199                  0.687                -14.646
 Raman2 Fr= 1--       0.996                 16.365                  4.251
 ROA2   Fr= 1--      -1.085                 -6.348                -79.345
 CID2   Fr= 1--      -1.090                 -0.388                -18.666
 Raman3 Fr= 1--       1.991                 32.730                  8.501
 ROA3   Fr= 1--       3.024                 30.299               -172.470
 CID3   Fr= 1--       1.519                  0.926                -20.287
 RC180  Fr= 1--       0.579                  0.483                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--      8.9182                 2.1875                 4.9003
  Dep-P Fr= 1--      0.7104                 0.4784                 0.3736
  Dep-U Fr= 1--      0.8307                 0.6472                 0.5440
 Alpha2 Fr= 1--      0.0061                 0.0119                 0.0398
 Beta2  Fr= 1--      1.2347                 0.2359                 0.4443
 AlphaG Fr= 1--      0.0146                -0.0182                -0.0441
 Gamma2 Fr= 1--      0.1603                 1.9106                 1.1061
 Delta2 Fr= 1--     -0.4635                 0.0637                -3.3105
 Raman1 Fr= 1--      35.673                  8.750                 19.601
 ROA1   Fr= 1--       0.560                185.459                  0.247
 CID1   Fr= 1--       0.016                 21.195                  0.013
 Raman2 Fr= 1--      14.817                  2.831                  5.331
 ROA2   Fr= 1--       7.555                 45.345                 53.029
 CID2   Fr= 1--       0.510                 16.016                  9.947
 Raman3 Fr= 1--      29.634                  5.663                 10.663
 ROA3   Fr= 1--       0.560                185.459                  0.247
 CID3   Fr= 1--       0.019                 32.751                  0.023
 RC180  Fr= 1--       0.661                  0.294                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      1.4332                15.0219                23.2943
  Dep-P Fr= 1--      0.6292                 0.6648                 0.7432
  Dep-U Fr= 1--      0.7724                 0.7986                 0.8527
 Alpha2 Fr= 1--      0.0031                 0.0228                 0.0027
 Beta2  Fr= 1--      0.1845                 1.9995                 3.3104
 AlphaG Fr= 1--     -0.0202                -0.0656                -0.0019
 Gamma2 Fr= 1--     -2.1535                 0.9196                -0.9794
 Delta2 Fr= 1--      0.4217                -1.4351                 1.3909
 Raman1 Fr= 1--       5.733                 60.088                 93.177
 ROA1   Fr= 1--    -193.244                 42.357                -49.511
 CID1   Fr= 1--     -33.708                  0.705                 -0.531
 Raman2 Fr= 1--       2.214                 23.994                 39.725
 ROA2   Fr= 1--     -55.058                 33.550                -34.633
 CID2   Fr= 1--     -24.868                  1.398                 -0.872
 Raman3 Fr= 1--       4.428                 47.989                 79.449
 ROA3   Fr= 1--    -193.244                 42.357                -49.511
 CID3   Fr= 1--     -43.641                  0.883                 -0.623
 RC180  Fr= 1--       0.545                  0.597                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    121.4544               219.1785                63.7611
  Dep-P Fr= 1--      0.2201                 0.0170                 0.6208
  Dep-U Fr= 1--      0.3607                 0.0334                 0.7660
 Alpha2 Fr= 1--      1.5631                 4.6809                 0.1506
 Beta2  Fr= 1--      7.3021                 1.2198                 8.1404
 AlphaG Fr= 1--     -0.5525                 0.0385                -0.4726
 Gamma2 Fr= 1--     -3.4444                -2.2516                -4.5006
 Delta2 Fr= 1--     -6.8244                 0.0893                -3.7185
 Raman1 Fr= 1--     485.818                876.714                255.045
 ROA1   Fr= 1--    -549.047               -213.300               -551.051
 CID1   Fr= 1--      -1.130                 -0.243                 -2.161
 Raman2 Fr= 1--      87.625                 14.638                 97.685
 ROA2   Fr= 1--     -28.071                -54.754                -78.267
 CID2   Fr= 1--      -0.320                 -3.741                 -0.801
 Raman3 Fr= 1--     175.250                 29.275                195.371
 ROA3   Fr= 1--    -549.047               -213.300               -551.051
 CID3   Fr= 1--      -3.133                 -7.286                 -2.821
 RC180  Fr= 1--      -0.279                 -0.933                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    173.5300               161.8949                66.3554
  Dep-P Fr= 1--      0.1242                 0.1736                 0.6754
  Dep-U Fr= 1--      0.2210                 0.2958                 0.8062
 Alpha2 Fr= 1--      2.8619                 2.3562                 0.0876
 Beta2  Fr= 1--      6.3923                 7.9810                 8.9164
 AlphaG Fr= 1--     -2.1597                 2.0495                -0.0880
 Gamma2 Fr= 1--      2.0546                16.2959               -16.4546
 Delta2 Fr= 1--     11.8913                 8.6924               -13.5233
 Raman1 Fr= 1--     694.120                647.580                265.422
 ROA1   Fr= 1--     577.758               1842.564              -2012.387
 CID1   Fr= 1--       0.832                  2.845                 -7.582
 Raman2 Fr= 1--      76.708                 95.772                106.997
 ROA2   Fr= 1--     -45.821                321.562               -286.724
 CID2   Fr= 1--      -0.597                  3.358                 -2.680
 Raman3 Fr= 1--     153.416                191.544                213.994
 ROA3   Fr= 1--     577.758               1842.564              -2012.387
 CID3   Fr= 1--       3.766                  9.620                 -9.404
 RC180  Fr= 1--      -0.558                 -0.408                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    107.8470                88.6206                17.4795
  Dep-P Fr= 1--      0.4768                 0.7497                 0.6978
  Dep-U Fr= 1--      0.6457                 0.8569                 0.8220
 Alpha2 Fr= 1--      0.5912                 0.0005                 0.0159
 Beta2  Fr= 1--     11.6060                12.6570                 2.3947
 AlphaG Fr= 1--      0.2828                 0.0004                 0.0324
 Gamma2 Fr= 1--     14.2801                -6.3534                 0.9453
 Delta2 Fr= 1--      9.1136                -3.8522                 0.6038
 Raman1 Fr= 1--     431.388                354.482                 69.918
 ROA1   Fr= 1--    1662.522               -733.196                110.072
 CID1   Fr= 1--       3.854                 -2.068                  1.574
 Raman2 Fr= 1--     139.272                151.884                 28.737
 ROA2   Fr= 1--     269.813               -121.664                 17.856
 CID2   Fr= 1--       1.937                 -0.801                  0.621
 Raman3 Fr= 1--     278.544                303.767                 57.473
 ROA3   Fr= 1--    1662.522               -733.196                110.072
 CID3   Fr= 1--       5.969                 -2.414                  1.915
 RC180  Fr= 1--       0.291                  0.714                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    149.4914                67.4639               278.6259
  Dep-P Fr= 1--      0.5116                 0.7482                 0.1128
  Dep-U Fr= 1--      0.6769                 0.8560                 0.2028
 Alpha2 Fr= 1--      0.6987                 0.0021                 4.7267
 Beta2  Fr= 1--     16.8642                 9.6243                 9.4175
 AlphaG Fr= 1--      0.1487                -0.0105                 0.3972
 Gamma2 Fr= 1--     -0.4386                 0.6384                 1.2751
 Delta2 Fr= 1--     -0.8582                -3.2419                 2.9020
 Raman1 Fr= 1--     597.966                269.856               1114.504
 ROA1   Fr= 1--     -69.567                -42.452                215.277
 CID1   Fr= 1--      -0.116                 -0.157                  0.193
 Raman2 Fr= 1--     202.370                115.492                113.010
 ROA2   Fr= 1--      -3.660                 41.258                  7.388
 CID2   Fr= 1--      -0.018                  0.357                  0.065
 Raman3 Fr= 1--     404.740                230.984                226.019
 ROA3   Fr= 1--     -69.567                -42.452                215.277
 CID3   Fr= 1--      -0.172                 -0.184                  0.952
 RC180  Fr= 1--       0.354                  0.712                 -0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146655D+03  0.168329D+01 -0.233682D+01
      2   0.168329D+01  0.124780D+03  0.515670D+01
      3  -0.233682D+01  0.515670D+01  0.845431D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.292471D+01 -0.230701D+01  0.283697D+01
      2   0.100209D+02 -0.143232D+02  0.111994D+02
      3   0.142267D+01  0.343663D+02  0.115240D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.826576D+02 -0.120292D+02  0.796706D+01
      2   0.391122D+02  0.464788D+01 -0.545081D+01
      3   0.435454D+02  0.738133D+01 -0.251625D+01
      4  -0.212809D+02 -0.389894D+02 -0.305728D+02
      5   0.211581D+02 -0.308406D+02  0.323452D+02
      6  -0.135230D+02  0.692607D+01 -0.297608D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116398D+01 -0.171471D+01 -0.736224D+00 -0.545430D+01  0.237770D+00
      2  -0.171471D+01 -0.295170D+01 -0.748689D+00  0.237770D+00 -0.236277D+01
      3  -0.736224D+00 -0.748689D+00 -0.239612D+01  0.114258D+01  0.106560D+01
                 6             7             8             9            10 
      1   0.114258D+01 -0.183361D+01  0.732758D+00 -0.399774D+01 -0.525224D+01
      2   0.106560D+01  0.732758D+00  0.142711D+01 -0.318685D+01  0.149212D+01
      3  -0.223750D+01 -0.399774D+01 -0.318685D+01 -0.968770D+00 -0.447683D+00
                11            12            13            14            15 
      1   0.149212D+01 -0.447683D+00  0.273339D+01  0.204087D+01  0.136354D+01
      2  -0.290408D+01  0.182556D-02  0.204087D+01  0.186066D+01 -0.718897D+00
      3   0.182556D-02 -0.294306D+01  0.136354D+01 -0.718897D+00  0.686616D+00
                16            17            18            19            20 
      1   0.163104D+00  0.150218D+01 -0.516487D+01 -0.101254D+01  0.404965D+01
      2   0.150218D+01  0.266972D+00  0.113558D+01  0.404965D+01  0.149091D+01
      3  -0.516487D+01  0.113558D+01  0.182830D+01  0.622442D+00 -0.308728D+00
                21            22            23            24            25 
      1   0.622442D+00 -0.540273D+01  0.728911D+00 -0.137620D+00 -0.897483D+00
      2  -0.308728D+00  0.728911D+00 -0.249672D+01  0.996289D+00 -0.111336D+01
      3   0.815134D+00 -0.137620D+00  0.996289D+00 -0.191395D+01 -0.290489D+00
                26            27            28            29            30 
      1  -0.111336D+01 -0.290489D+00  0.137512D+02 -0.405419D+01 -0.269927D+00
      2   0.101672D+01 -0.364490D+01 -0.405419D+01  0.462803D+01  0.228150D+00
      3  -0.364490D+01 -0.267254D+01 -0.269927D+00  0.228150D+00  0.181552D+01
                31            32            33            34            35 
      1  -0.873800D+01 -0.194475D+01 -0.548926D+00 -0.187883D+01 -0.117161D+01
      2  -0.194475D+01 -0.161967D+00  0.993642D-01 -0.117161D+01 -0.401140D+00
      3  -0.548926D+00  0.993642D-01 -0.660879D-01  0.324547D+01 -0.152388D+01
                36            37            38            39            40 
      1   0.324547D+01  0.289236D+01  0.373551D+01  0.791196D+00  0.126705D+02
      2  -0.152388D+01  0.373551D+01  0.658132D+01  0.131823D+01  0.304602D+01
      3  -0.156941D+01  0.791196D+00  0.131823D+01  0.184850D+01  0.757131D-01
                41            42            43            44            45 
      1   0.304602D+01  0.757131D-01  0.291504D+01  0.310753D+00  0.223970D+01
      2   0.469533D+01 -0.455805D+00  0.310753D+00 -0.125688D+01  0.244441D+01
      3  -0.455805D+00  0.946756D+00  0.223970D+01  0.244441D+01  0.575814D+00
                46            47            48            49            50 
      1   0.147483D+01 -0.349629D+01 -0.437831D+00  0.524368D+01 -0.808070D+00
      2  -0.349629D+01 -0.281325D+01  0.434920D+00 -0.808070D+00  0.164432D+01
      3  -0.437831D+00  0.434920D+00  0.173158D+00  0.156306D+00 -0.847205D+00
                51            52            53            54            55 
      1   0.156306D+00  0.515549D+00  0.107894D+01 -0.178657D+01 -0.278251D+01
      2  -0.847205D+00  0.107894D+01 -0.717150D+00  0.356528D+01  0.283564D+01
      3   0.224369D+01 -0.178657D+01  0.356528D+01  0.234879D+01 -0.225867D+00
                56            57            58            59            60 
      1   0.283564D+01 -0.225867D+00  0.420210D+01 -0.431060D+01  0.687139D+00
      2  -0.297777D+01  0.766496D+00 -0.431060D+01 -0.186485D+01  0.167310D+01
      3   0.766496D+00 -0.226423D+01  0.687139D+00  0.167310D+01  0.335230D+01
                61            62            63            64            65 
      1  -0.231419D+01  0.119898D+01 -0.448319D+01 -0.614761D+01 -0.201014D+01
      2   0.119898D+01  0.703513D+00  0.446662D+01 -0.201014D+01  0.185808D+01
      3  -0.448319D+01  0.446662D+01  0.144209D+01 -0.234048D+01  0.203811D+00
                66            67            68            69            70 
      1  -0.234048D+01 -0.184333D+01  0.168275D+01  0.382863D+00 -0.400867D+01
      2   0.203811D+00  0.168275D+01  0.303456D+01 -0.136320D+01 -0.512163D-01
      3   0.571095D+00  0.382863D+00 -0.136320D+01 -0.144303D+01 -0.343221D+00
                71            72            73            74            75 
      1  -0.512163D-01 -0.343221D+00 -0.204812D+01 -0.310057D+00 -0.258696D+00
      2  -0.392957D+00 -0.231670D+01 -0.310057D+00 -0.192231D+01 -0.178656D+01
      3  -0.231670D+01  0.565001D+01 -0.258696D+00 -0.178656D+01 -0.172822D+01
                76            77            78            79            80 
      1  -0.557905D+00 -0.357210D+01 -0.138264D+01 -0.177699D+01 -0.272957D+01
      2  -0.357210D+01 -0.755324D+01  0.163916D+01 -0.272957D+01  0.175287D+01
      3  -0.138264D+01  0.163916D+01 -0.968828D+00 -0.329590D+01 -0.306149D+01
                81            82            83            84            85 
      1  -0.329590D+01 -0.718935D+01 -0.445167D+01 -0.378827D+00 -0.433438D+01
      2  -0.306149D+01 -0.445167D+01 -0.338162D+01 -0.232024D+00 -0.429331D+01
      3  -0.438985D+01 -0.378827D+00 -0.232024D+00 -0.594803D+00 -0.676320D+00
                86            87            88            89            90 
      1  -0.429331D+01 -0.676320D+00 -0.209061D+00 -0.501160D+00  0.779938D-01
      2  -0.484748D+01 -0.616839D+00 -0.501160D+00 -0.850128D+00  0.941367D-02
      3  -0.616839D+00 -0.607506D+00  0.779938D-01  0.941367D-02 -0.687219D-01
                91            92            93            94            95 
      1  -0.123997D+02  0.237581D+01  0.154890D+01  0.241302D+01 -0.201827D+01
      2   0.237581D+01 -0.115226D+01 -0.297934D+00 -0.201827D+01  0.990441D+00
      3   0.154890D+01 -0.297934D+00 -0.958083D+00 -0.668426D+00  0.331013D+00
                96            97            98            99           100 
      1  -0.668426D+00  0.167361D+01 -0.667130D+00 -0.665065D-01  0.503511D+00
      2   0.331013D+00 -0.667130D+00  0.282734D+00  0.600568D-01 -0.133917D+01
      3   0.314161D+00 -0.665065D-01  0.600568D-01  0.166715D+00 -0.327691D+00
               101           102           103           104           105 
      1  -0.133917D+01 -0.327691D+00 -0.920958D+00  0.778994D+00  0.156964D+00
      2   0.130422D+01  0.436965D+00  0.778994D+00 -0.970693D+01 -0.217644D+01
      3   0.436965D+00  0.223290D+00  0.156964D+00 -0.217644D+01 -0.130477D+01
               106           107           108           109           110 
      1  -0.311978D+00  0.427091D+00  0.248271D-01 -0.134775D+01  0.183570D+01
      2   0.427091D+00 -0.231361D+01 -0.524797D+00  0.183570D+01 -0.188052D+01
      3   0.248271D-01 -0.524797D+00 -0.309569D+00  0.467541D+00 -0.500346D+00
               111           112           113           114           115 
      1   0.467541D+00  0.164258D+01 -0.282807D+01 -0.643762D+00  0.464009D+00
      2  -0.500346D+00 -0.282807D+01  0.958360D+01  0.202556D+01 -0.798333D+00
      3  -0.368371D+00 -0.643762D+00  0.202556D+01  0.123196D+01 -0.226277D+00
               116           117           118           119           120 
      1  -0.798333D+00 -0.226277D+00  0.194219D+01 -0.140160D+01 -0.140838D+01
      2   0.207896D+01  0.446948D+00 -0.140160D+01  0.105415D+01  0.431867D+00
      3   0.446948D+00  0.298660D+00 -0.140838D+01  0.431867D+00  0.138195D+01
               121           122           123           124           125 
      1  -0.308607D+01  0.228806D+01  0.953538D+00 -0.245547D+01  0.123790D+01
      2   0.228806D+01 -0.309470D+01 -0.218321D+01  0.123790D+01 -0.242942D+01
      3   0.953538D+00 -0.218321D+01 -0.286110D+01  0.260193D+01 -0.290845D+01
               126           127           128           129           130 
      1   0.260193D+01 -0.836754D+01  0.171700D+01  0.748622D+00 -0.138836D+01
      2  -0.290845D+01  0.171700D+01  0.283183D+01 -0.124120D+01  0.317081D+01
      3  -0.527733D+01  0.748622D+00 -0.124120D+01  0.214807D+01 -0.142232D+01
               131           132           133           134           135 
      1   0.317081D+01 -0.142232D+01  0.546878D+01 -0.250804D+01  0.317156D+01
      2   0.333167D+01 -0.136689D+01 -0.250804D+01  0.241597D-01 -0.372881D+01
      3  -0.136689D+01 -0.329251D+01  0.317156D+01 -0.372881D+01 -0.143928D+01
               136           137           138           139           140 
      1   0.113014D+01  0.554349D+00 -0.939374D+00  0.567390D+00  0.374956D+00
      2   0.554349D+00 -0.159762D+00 -0.202472D+00  0.374956D+00  0.829441D+00
      3  -0.939374D+00 -0.202472D+00  0.188437D+00 -0.509087D+00 -0.122028D+01
               141           142           143           144           145 
      1  -0.509087D+00 -0.156394D+01 -0.625842D+00  0.223513D+01  0.108315D+02
      2  -0.122028D+01 -0.625842D+00 -0.186923D+01  0.245325D+01  0.206982D+01
      3   0.160793D+01  0.223513D+01  0.245325D+01 -0.857050D+01  0.918924D+00
               146           147           148           149           150 
      1   0.206982D+01  0.918924D+00  0.136418D+01  0.129834D+01  0.112659D-01
      2   0.139515D+01 -0.419209D-01  0.129834D+01  0.485526D+00  0.286160D+00
      3  -0.419209D-01  0.114427D+01  0.112659D-01  0.286160D+00  0.305564D+00
               151           152           153           154           155 
      1   0.325519D+01  0.568908D+00  0.145384D+01 -0.143091D+00  0.865065D+00
      2   0.568908D+00  0.684280D+00  0.511237D+00  0.865065D+00 -0.813066D+00
      3   0.145384D+01  0.511237D+00  0.747726D-01 -0.360243D+00  0.191620D+00
               156           157           158           159           160 
      1  -0.360243D+00  0.192482D+01  0.190604D+01 -0.189013D+00 -0.487691D+00
      2   0.191620D+00  0.190604D+01  0.106074D+02 -0.188412D+01 -0.163615D+00
      3   0.104932D+00 -0.189013D+00 -0.188412D+01  0.127132D+01  0.736632D+00
               161           162           163           164           165 
      1  -0.163615D+00  0.736632D+00  0.222204D+01  0.107837D+01  0.151734D+01
      2  -0.345586D+01  0.210383D+01  0.107837D+01  0.843540D+00  0.849245D+00
      3   0.210383D+01 -0.653441D+00  0.151734D+01  0.849245D+00  0.145489D+01
               166           167           168           169           170 
      1   0.718805D+00  0.160655D+01  0.712398D+00  0.399073D+01  0.254368D+01
      2   0.160655D+01  0.279894D+01  0.143042D+01  0.254368D+01  0.321845D+01
      3   0.712398D+00  0.143042D+01  0.115465D+01  0.285968D+01  0.340082D+01
               171           172           173           174           175 
      1   0.285968D+01  0.440950D+00  0.256895D+00  0.548576D+00  0.105488D+01
      2   0.340082D+01  0.256895D+00 -0.582218D+00  0.105215D+00 -0.419321D+00
      3   0.661791D+01  0.548576D+00  0.105215D+00 -0.946922D+00  0.484014D+00
               176           177           178           179           180 
      1  -0.419321D+00  0.484014D+00  0.105154D+01 -0.116868D-01  0.394416D+00
      2   0.103447D+01  0.111252D+01 -0.116868D-01  0.150619D+01  0.115923D+01
      3   0.111252D+01  0.276825D+01  0.394416D+00  0.115923D+01  0.593967D+01
               181           182           183           184           185 
      1   0.128927D+02 -0.313242D+01  0.937304D+00 -0.129391D+01  0.131818D+01
      2  -0.313242D+01  0.175067D+01 -0.398475D+00  0.131818D+01 -0.118017D+01
      3   0.937304D+00 -0.398475D+00  0.127975D+01  0.612731D-01  0.210183D+00
               186           187           188           189           190 
      1   0.612731D-01 -0.146572D+01  0.492164D+00  0.870852D+00 -0.227012D+00
      2   0.210183D+00  0.492164D+00 -0.406380D+00  0.596681D-01 -0.955679D+00
      3   0.171988D+00  0.870852D+00  0.596681D-01 -0.853083D-03  0.303717D-01
               191           192           193           194           195 
      1  -0.955679D+00  0.303717D-01 -0.151537D+01 -0.283752D+00 -0.948033D-02
      2  -0.219933D+01  0.790007D+00 -0.283752D+00 -0.762758D+01  0.196353D+01
      3   0.790007D+00 -0.949185D+00 -0.948033D-02  0.196353D+01 -0.135989D+01
               196           197           198 
      1  -0.293925D+00  0.248196D+00 -0.257266D+00
      2   0.248196D+00  0.113081D+01 -0.920451D+00
      3  -0.257266D+00 -0.920451D+00  0.977538D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.198970D+01  0.905916D+00 -0.430297D+01  0.269987D+01 -0.631027D+00
      2   0.242221D+01  0.164969D+01  0.475449D+01 -0.245071D+01 -0.294360D+01
      3  -0.668073D+01 -0.109834D+02 -0.108836D+01  0.840277D+01 -0.401136D+01
                 6             7             8             9            10 
      1  -0.994138D+00 -0.802338D+01  0.489882D+01  0.204572D+01  0.635550D+00
      2   0.703861D+01  0.835967D-02  0.108269D+02  0.386591D+01 -0.879621D+00
      3   0.152053D+01  0.294786D+01  0.333178D+01 -0.473887D+01  0.509575D+01
                11            12            13            14            15 
      1   0.401647D+00  0.217540D+01  0.217871D-02 -0.275302D+01  0.243599D+01
      2  -0.192414D+00  0.860742D+01 -0.395104D+01  0.790831D+00 -0.282406D+01
      3  -0.916185D+01 -0.233263D+00  0.111718D+02  0.421447D+01 -0.195692D+01
                16            17            18            19            20 
      1   0.451274D+01  0.107746D+02  0.223942D+01  0.104334D+01 -0.132420D+01
      2   0.761308D+01 -0.511646D+01 -0.469749D+01 -0.505192D+01  0.320437D+01
      3   0.349942D+01 -0.128891D+01  0.205297D+01  0.942247D+01 -0.610040D+01
                21            22            23            24            25 
      1   0.315197D+01 -0.722686D+00  0.112979D+01 -0.372289D+01  0.331611D+01
      2  -0.171058D+01  0.143543D+01  0.717168D+00  0.257835D+01 -0.139202D+02
      3  -0.380316D+01  0.610370D+01 -0.783426D+01 -0.572147D-02 -0.360833D+01
                26            27            28            29            30 
      1   0.273208D+00 -0.144643D+01  0.187866D+00  0.131569D+00  0.203122D+01
      2   0.314132D+01  0.357055D+01  0.243912D+01 -0.355174D+01 -0.190218D+01
      3   0.805151D+00 -0.545457D+01 -0.543977D+01  0.124660D+02  0.198036D+01
                31            32            33            34            35 
      1   0.286006D+00 -0.340847D+01 -0.103718D+01  0.393915D+01  0.992511D+01
      2  -0.167846D+01  0.612984D+00  0.288007D+00 -0.142084D+02 -0.691921D+00
      3   0.112297D+02 -0.924112D+01  0.166435D+01 -0.505064D+00 -0.151994D+01
                36            37            38            39            40 
      1   0.847680D+00 -0.185874D+01 -0.266693D+00 -0.162048D+01  0.658847D+00
      2   0.972201D+00 -0.336987D+00 -0.480123D-02 -0.188966D+01  0.406943D+01
      3  -0.233999D+01 -0.271789D+01  0.964792D+01  0.254043D+01  0.122165D+02
                41            42            43            44            45 
      1  -0.549380D+00 -0.456796D+00 -0.410055D+01  0.732573D+01  0.153245D+01
      2  -0.275321D+01 -0.148903D+01 -0.139366D+02 -0.736986D+00 -0.616392D-01
      3   0.177296D+02  0.117604D+01 -0.879352D+00  0.293557D+01  0.458550D+01
                46            47            48            49            50 
      1   0.621396D+00 -0.927127D+00 -0.110444D+01 -0.680517D+00  0.126651D+00
      2   0.721390D+00  0.211451D+01 -0.103047D+01  0.219916D+01  0.235100D+01
      3  -0.505119D+01 -0.153737D+02 -0.212724D+01  0.119067D+00  0.423470D+01
                51            52            53            54            55 
      1  -0.384183D+01  0.271032D+01  0.931907D+00 -0.973933D+00 -0.186997D+01
      2  -0.579292D+01 -0.106750D+02 -0.861002D+01 -0.348651D+01 -0.291078D+00
      3  -0.153997D+01 -0.195315D+01 -0.182489D+01  0.533527D+01 -0.738168D+00
                56            57            58            59            60 
      1   0.783680D+00 -0.277984D+01  0.334070D+00  0.473507D+01  0.225254D+00
      2   0.272542D+01 -0.109551D+01  0.372012D+01  0.466070D+00  0.629614D+01
      3  -0.338111D+01  0.863405D+00  0.101790D+02  0.121571D+02 -0.493647D+01
                61            62            63            64            65 
      1  -0.596309D+01  0.718361D+01  0.618649D-01  0.429594D+01 -0.222899D+01
      2  -0.145984D+02  0.945163D+01  0.919238D+00 -0.124713D+02 -0.717656D+00
      3   0.193886D+01 -0.535518D+01 -0.458356D+01  0.671326D+00 -0.112777D+02
                66            67            68            69            70 
      1  -0.698636D+00 -0.102604D+01 -0.248279D+01  0.131921D+01  0.909735D+00
      2   0.140584D+01  0.520263D+00 -0.627253D+00 -0.398094D+01 -0.854195D+01
      3  -0.373400D+01 -0.727662D+01 -0.736055D+01  0.521825D+01 -0.643209D+01
                71            72            73            74            75 
      1   0.549924D+01 -0.433249D+01  0.128541D+01  0.487153D+01  0.365199D+01
      2  -0.691323D+01  0.129485D+02  0.249377D+00 -0.154218D+01  0.431078D-01
      3   0.343046D+01  0.529803D+01 -0.424603D+01 -0.270086D+01  0.140142D+01
                76            77            78            79            80 
      1   0.215066D+01 -0.836181D+01  0.464954D+00  0.991567D+01  0.124957D+02
      2  -0.192321D+01  0.270510D+01  0.269110D+00 -0.804107D+01 -0.247960D+01
      3   0.117561D+02 -0.461648D+00 -0.752352D+01  0.715181D-01 -0.128837D+02
                81            82            83            84            85 
      1   0.951077D+01  0.260578D+00  0.484312D+00 -0.232967D+01 -0.451607D+00
      2  -0.324021D+01 -0.487819D+00 -0.409948D+00  0.363954D+01  0.945343D+00
      3  -0.534309D+01 -0.175192D+01 -0.553672D+01  0.293683D-01 -0.387758D+01
                86            87            88            89            90 
      1  -0.783186D-01 -0.263502D+01  0.126943D+01  0.145596D+01 -0.174944D+00
      2   0.985731D+00  0.307274D+01 -0.171611D+01 -0.112887D+01  0.153930D+00
      3  -0.876627D+01 -0.789260D+00 -0.107151D+01 -0.163433D+01  0.211592D+00
                91            92            93            94            95 
      1  -0.173086D+00 -0.586264D+00  0.117596D+01 -0.338098D-01  0.175729D+00
      2  -0.183774D+01  0.353388D+00  0.593606D+01  0.161330D+01 -0.745503D+00
      3   0.190913D+01 -0.551786D+01 -0.274412D+00 -0.396112D+01  0.279907D+01
                96            97            98            99           100 
      1  -0.743267D+00 -0.866194D+00  0.626216D+00 -0.124844D+00  0.258605D+00
      2  -0.169549D+01 -0.250076D+01  0.550935D+00 -0.589373D+00  0.682103D+00
      3   0.734618D+00 -0.185067D+01  0.148110D+01  0.598994D-01 -0.382133D+01
               101           102           103           104           105 
      1   0.559739D-01  0.977810D+00 -0.224319D+00  0.811527D+00 -0.463825D+01
      2  -0.964543D+00  0.936620D-02 -0.128400D+01  0.243235D+01  0.611380D+00
      3   0.388671D+01  0.102662D+01  0.631208D+01 -0.123870D+02 -0.291038D+01
               106           107           108           109           110 
      1  -0.252201D+00  0.220889D+01 -0.634870D+00 -0.175396D+00  0.134704D+00
      2  -0.131955D+01  0.578463D+00 -0.424370D-01 -0.357379D+00  0.403193D+00
      3   0.142129D+01 -0.317561D+01 -0.403749D+00  0.797817D+00 -0.106610D+01
               111           112           113           114           115 
      1   0.114693D+01  0.125945D+00  0.614128D+00 -0.461796D+01 -0.341901D+00
      2   0.102791D+01  0.131094D+00 -0.317413D+01 -0.268608D+01 -0.920303D+00
      3  -0.296331D+00  0.823570D+00  0.144009D+02  0.294918D+01 -0.159720D+00
               116           117           118           119           120 
      1   0.203005D+01 -0.633589D+00 -0.778952D+00 -0.582742D+00  0.144265D+01
      2  -0.254785D-01 -0.333450D+00 -0.993440D+00  0.384075D+00  0.283716D+01
      3   0.318807D+01  0.220053D+00  0.126588D+01 -0.326075D+01  0.213470D+00
               121           122           123           124           125 
      1   0.193982D+00  0.625653D+00 -0.269324D+01  0.197075D+01  0.109822D+01
      2  -0.255472D+00 -0.254480D+01 -0.510342D+01  0.122980D+01 -0.402694D+01
      3   0.763454D+00  0.351800D+01  0.372876D+01  0.107994D+01  0.483245D+01
               126           127           128           129           130 
      1  -0.361463D+01  0.309185D+01  0.193692D+01  0.297490D+01 -0.162083D+01
      2  -0.803393D+01  0.116597D+02 -0.657854D+01  0.804264D+01 -0.627695D+01
      3   0.387147D+01  0.939198D+01 -0.135937D+02  0.159171D+01 -0.576261D+01
               131           132           133           134           135 
      1   0.387281D+01 -0.112091D+02  0.274627D+01 -0.627535D+01 -0.644773D+01
      2  -0.555275D+01 -0.764569D+01  0.565345D+01 -0.815628D+01 -0.578141D+01
      3  -0.169978D+02  0.692432D+01  0.609215D-02  0.685039D+01  0.510455D+01
               136           137           138           139           140 
      1   0.547590D-01  0.682045D+00 -0.212028D-02  0.717503D+00  0.303973D-01
      2  -0.434230D+00 -0.123577D+00  0.839978D+00 -0.331630D+00 -0.250810D+01
      3  -0.699551D+00  0.762334D+00 -0.203923D+00  0.271637D+01 -0.117911D+01
               141           142           143           144           145 
      1  -0.134179D+01 -0.137990D+01  0.223931D+01  0.653586D+01 -0.236675D+01
      2   0.335713D+01  0.731698D+00  0.456681D+01 -0.181222D+02  0.897276D+01
      3   0.236153D+01 -0.985081D+00  0.501716D+01 -0.269615D+01  0.655302D+01
               146           147           148           149           150 
      1  -0.799260D+00 -0.160579D+01 -0.756666D+00 -0.454168D+00 -0.132323D+01
      2   0.123804D+01  0.650343D+01  0.966047D+00  0.150856D+01  0.114619D+01
      3  -0.554657D+01  0.113213D+01 -0.572240D+00  0.196945D+00 -0.125047D+01
               151           152           153           154           155 
      1  -0.163728D+01 -0.664790D-01 -0.788137D+00  0.440868D+00 -0.831677D+00
      2   0.425685D+01  0.148602D+01  0.170821D+01  0.171931D+00  0.570439D+00
      3   0.236889D+01 -0.273074D+01  0.168267D+00 -0.150073D+01  0.232310D+00
               156           157           158           159           160 
      1  -0.220821D-01  0.179760D+01  0.593977D+01 -0.585434D+01 -0.191844D+01
      2   0.113733D+01 -0.448045D+00 -0.224692D+01  0.133218D+01  0.211486D+00
      3  -0.137549D+01  0.481692D+01 -0.887645D+01  0.228602D+01 -0.226646D+01
               161           162           163           164           165 
      1  -0.409811D+01  0.232635D+01 -0.311281D+01 -0.110110D+01 -0.354994D+01
      2   0.151460D+01 -0.869666D+00 -0.496890D+00  0.712368D+00  0.252082D+01
      3   0.487806D+01 -0.934756D+00  0.578420D+01 -0.137916D+00  0.216930D+01
               166           167           168           169           170 
      1  -0.131924D+01 -0.158667D+01 -0.309131D+01 -0.653281D+01 -0.487773D+01
      2   0.599605D+00  0.104615D+01  0.143297D+01  0.835162D+00  0.292342D+01
      3  -0.299776D+00 -0.328499D+00  0.799852D-01  0.663617D+01  0.164021D+01
               171           172           173           174           175 
      1  -0.150500D+02  0.128768D+01 -0.144276D+01 -0.133771D+01 -0.579324D+00
      2   0.654867D+01  0.159203D+01 -0.292086D+00 -0.222065D+01 -0.107745D+01
      3   0.212816D+01 -0.967819D+00  0.852101D+00 -0.651113D+00  0.109228D+01
               176           177           178           179           180 
      1   0.502831D+01  0.466170D+01 -0.159821D+00  0.668177D+01  0.103496D+02
      2   0.349759D+01  0.660562D+01 -0.319039D+01  0.365195D+01  0.139016D+02
      3  -0.272151D+01 -0.339999D+01 -0.712842D+00 -0.423733D+01 -0.367442D+01
               181           182           183           184           185 
      1   0.878153D-01  0.108718D+01  0.247854D+01  0.817231D+00 -0.549885D+00
      2  -0.772017D+01  0.922148D+00  0.630606D+01  0.126295D+01 -0.442896D-01
      3  -0.132843D+02 -0.353565D+01 -0.172443D+00  0.192704D+00  0.175809D+01
               186           187           188           189           190 
      1  -0.251743D+00  0.112432D+01  0.102366D+01  0.169734D+00 -0.122626D+01
      2   0.858937D-01  0.119752D+01  0.377182D+00 -0.520500D+00  0.127864D+01
      3  -0.529652D+00  0.521537D+00 -0.180151D+00 -0.178778D+01  0.516534D+01
               191           192           193           194           195 
      1  -0.138465D+01 -0.185368D+01 -0.119953D+01 -0.481189D+01 -0.292919D+01
      2   0.267743D+01 -0.148796D+01  0.221423D+01  0.602701D+01 -0.289669D+01
      3   0.693106D+01 -0.156737D+01  0.719537D+01  0.199986D+02 -0.496863D+01
               196           197           198 
      1  -0.396373D+00  0.104146D+01  0.118103D+01
      2  -0.151023D+01 -0.202543D+01  0.235736D+01
      3  -0.673055D-01 -0.355964D+01  0.292117D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412873D+01 -0.226400D+02 -0.346993D+01  0.314434D+02  0.196124D+01
      2  -0.494872D+00  0.160166D+02 -0.182726D+01 -0.305349D+02 -0.523642D+01
      3   0.462360D+01  0.662335D+01  0.529719D+01 -0.908484D+00  0.327518D+01
      4  -0.186144D+02  0.133912D+02  0.545907D+01  0.358922D+01 -0.145793D+02
      5   0.201822D+01  0.363111D+01  0.111462D+02 -0.655204D+01 -0.879328D+01
      6   0.288943D+01  0.269111D+01  0.990495D+01 -0.875872D+01 -0.503076D+01
                 6             7             8             9            10 
      1  -0.244200D+00  0.123240D+02  0.418339D+01  0.660019D+01 -0.854379D+01
      2   0.234982D+01 -0.130943D+02 -0.657990D+01 -0.111558D+02  0.457002D+01
      3  -0.210561D+01  0.770264D+00  0.239651D+01  0.455557D+01  0.397378D+01
      4  -0.110828D+02 -0.131218D+01 -0.103279D+02  0.133105D+02  0.493562D+01
      5   0.145145D+02  0.271542D+02  0.156241D+02  0.793849D+01  0.686105D+01
      6   0.311111D+01  0.833340D+01  0.120826D+02 -0.267515D+01  0.284197D-01
                11            12            13            14            15 
      1   0.563623D+01  0.759511D+01 -0.242592D+02 -0.194205D+02 -0.679537D+01
      2  -0.293654D+01 -0.217385D+01  0.211963D+02  0.189496D+02  0.891591D+01
      3  -0.269969D+01 -0.542126D+01  0.306290D+01  0.470804D+00 -0.212055D+01
      4   0.246302D+02 -0.321609D+00 -0.224344D+02  0.135699D+02  0.862341D+01
      5  -0.712646D+00  0.185621D+02 -0.122096D+02  0.561592D+01 -0.584857D+01
      6   0.244129D+00 -0.455301D+01  0.718052D+01  0.457929D+01 -0.454702D+01
                16            17            18            19            20 
      1   0.403067D+01 -0.909736D+01  0.128305D+02  0.118982D+02  0.659631D+01
      2   0.259421D+01  0.633156D+01 -0.181976D+02 -0.915804D+01 -0.811293D+01
      3  -0.662488D+01  0.276581D+01  0.536708D+01 -0.274011D+01  0.151663D+01
      4  -0.139750D+02  0.393298D+01 -0.378099D+01  0.856925D+01 -0.238394D+02
      5   0.350500D+02 -0.590723D+01 -0.969685D+01 -0.212726D+01 -0.215089D+01
      6  -0.182162D+01  0.704336D+01 -0.343325D+01 -0.153406D+01  0.190306D+01
                21            22            23            24            25 
      1  -0.183929D+01  0.663166D+01  0.917613D+01  0.536040D+01 -0.160662D+01
      2   0.210672D+01 -0.920960D-01 -0.147994D+02 -0.883880D+01  0.160551D+01
      3  -0.267431D+00 -0.653957D+01  0.562323D+01  0.347840D+01  0.111049D-02
      4  -0.424682D+01  0.172286D+02  0.108519D+02  0.227340D+00  0.136309D+01
      5  -0.611181D+01  0.874530D+00  0.731860D+00  0.373758D+01  0.230507D+01
      6  -0.645113D+01  0.291876D+01 -0.125920D+02  0.560665D+01  0.687896D-01
                26            27            28            29            30 
      1   0.385144D+01 -0.151027D+02 -0.222168D+02  0.909635D+01  0.300925D+01
      2  -0.105277D+02  0.560941D+00  0.135430D+02 -0.495925D+01  0.564377D-01
      3   0.667630D+01  0.145417D+02  0.867383D+01 -0.413711D+01 -0.306569D+01
      4   0.345525D+01  0.975054D+01 -0.109365D+02  0.968947D+01  0.656859D+00
      5   0.865416D+01  0.782914D+01  0.440517D+01 -0.127567D+01 -0.196705D+01
      6   0.144658D+02  0.595991D+01 -0.277929D+01 -0.306743D+00 -0.271784D+01
                31            32            33            34            35 
      1  -0.324925D+01 -0.296822D+01 -0.208811D+00  0.742230D+01 -0.142612D+01
      2   0.815739D+01  0.919396D+01  0.199138D+01 -0.891782D-01 -0.101169D+00
      3  -0.490814D+01 -0.622574D+01 -0.178257D+01 -0.733312D+01  0.152729D+01
      4  -0.490610D+01  0.962572D+01  0.116582D+01 -0.433362D+01  0.117360D+01
      5  -0.274365D+01 -0.316698D+00 -0.293903D+00  0.402062D+01 -0.859186D+00
      6   0.559834D+01  0.239313D+01  0.167843D+01 -0.155306D+01  0.653242D+01
                36            37            38            39            40 
      1  -0.916421D+01 -0.162281D+02 -0.254079D+02 -0.497360D+01 -0.690223D+01
      2  -0.308159D+01  0.117502D+02  0.179871D+02  0.278725D+01 -0.245230D+01
      3   0.122458D+02  0.447787D+01  0.742077D+01  0.218635D+01  0.935453D+01
      4  -0.334142D+01 -0.594324D+01 -0.460675D+01  0.198849D+01  0.433997D+01
      5   0.884082D+00 -0.116008D+01  0.225306D+01 -0.167409D+01  0.458136D+01
      6  -0.539749D+00  0.623994D+01  0.383548D+01  0.312287D+01 -0.636921D+01
                41            42            43            44            45 
      1  -0.758600D+01  0.351820D+01 -0.264864D+00  0.643187D+01 -0.108683D+02
      2   0.794138D+01  0.134883D+00 -0.149776D+01 -0.510384D+01  0.101931D+01
      3  -0.355381D+00 -0.365308D+01  0.176262D+01 -0.132803D+01  0.984903D+01
      4  -0.755695D+01 -0.215099D+01  0.189127D+01 -0.235967D+00 -0.148735D+01
      5  -0.171904D+01 -0.237050D+01  0.450496D+01 -0.291299D+01  0.229568D+00
      6  -0.528891D+00  0.234717D+01  0.987482D+00  0.901532D+01 -0.140114D+01
                46            47            48            49            50 
      1   0.157159D+02  0.173410D+02 -0.117091D+01 -0.183428D+02  0.134038D+02
      2  -0.134394D+02 -0.122472D+02 -0.136160D+01  0.157335D+02 -0.194653D+02
      3  -0.227649D+01 -0.509388D+01  0.253251D+01  0.260933D+01  0.606157D+01
      4   0.751656D+01 -0.165550D+02 -0.570401D+01  0.136364D+02 -0.425092D+01
      5   0.369204D+01 -0.465880D+01 -0.490297D+01  0.109677D+01  0.463725D+01
      6  -0.665410D+01  0.146891D+01  0.677133D+00  0.372578D+01 -0.116757D+02
                51            52            53            54            55 
      1   0.358749D+01 -0.611385D+01 -0.138111D+01 -0.750348D+01  0.197573D+02
      2  -0.768712D+01  0.788586D+01 -0.689778D+01 -0.437554D+01 -0.985921D+01
      3   0.409962D+01 -0.177201D+01  0.827888D+01  0.118790D+02 -0.989808D+01
      4   0.465802D+01 -0.264375D+01  0.983902D+01 -0.140156D+02  0.995881D+01
      5  -0.108482D+02  0.880902D+01 -0.131788D+02 -0.724248D+01 -0.211169D+01
      6   0.645315D+01 -0.474323D+01  0.131586D+02  0.298833D+01  0.306868D+01
                56            57            58            59            60 
      1  -0.534370D+01  0.320599D+01 -0.443480D+01 -0.557286D+01  0.390529D+01
      2   0.292310D+01 -0.157399D+01 -0.397144D+00  0.458200D+01 -0.406872D+01
      3   0.242060D+01 -0.163200D+01  0.483195D+01  0.990866D+00  0.163430D+00
      4  -0.120770D+02  0.276994D+01 -0.236061D+02 -0.636320D+01  0.587135D+01
      5   0.326302D+01 -0.103903D+02  0.550826D+01  0.740885D+01  0.152426D+02
      6  -0.148908D+01  0.791120D+01  0.282971D+01 -0.373717D+01 -0.130843D+02
                61            62            63            64            65 
      1  -0.580123D+01  0.605378D+01  0.178751D+01 -0.334894D+02 -0.127221D+02
      2  -0.257269D+00  0.876046D+00 -0.127241D+01  0.103165D+02  0.963640D+01
      3   0.605850D+01 -0.692983D+01 -0.515105D+00  0.231729D+02  0.308567D+01
      4   0.112398D+02 -0.855147D+00  0.231576D+02 -0.156243D+02  0.133418D+01
      5  -0.234485D+02  0.208970D+02  0.490449D+01 -0.111439D+02  0.105553D+00
      6   0.180318D+02 -0.158658D+02 -0.823044D+01 -0.401100D+01  0.600671D+00
                66            67            68            69            70 
      1  -0.117750D+02 -0.107928D+02  0.700489D+01  0.451658D+00 -0.214334D+02
      2   0.738885D+01  0.100078D+02  0.471698D+00 -0.657593D+01  0.920343D+01
      3   0.438611D+01  0.785002D+00 -0.747658D+01  0.612428D+01  0.122300D+02
      4  -0.314113D+01  0.500376D+01  0.145997D+02 -0.419432D+01 -0.697951D+01
      5   0.315937D+01  0.249479D+01 -0.685904D+01 -0.641465D+01 -0.542416D+00
      6   0.414121D+00 -0.205745D+01 -0.262537D+01 -0.341230D+01 -0.315887D+01
                71            72            73            74            75 
      1  -0.197966D+01  0.690150D+01  0.236861D+01  0.105467D+02  0.815330D+01
      2  -0.891887D+01  0.113729D+02  0.506710D+01 -0.412459D+01 -0.713181D+01
      3   0.108985D+02 -0.182744D+02 -0.743571D+01 -0.642207D+01 -0.102149D+01
      4   0.123713D+01 -0.110437D+02  0.391510D+01  0.173456D+01 -0.258386D+01
      5  -0.102203D+02  0.240014D+02  0.638572D+00 -0.448517D+01 -0.670655D+01
      6  -0.107774D+01  0.166940D+02 -0.334216D+01 -0.821371D+01 -0.710753D+01
                76            77            78            79            80 
      1   0.201492D+02  0.250177D+02 -0.794269D+01  0.141299D+02 -0.728710D+01
      2  -0.175536D+02 -0.373928D+02  0.138508D+02 -0.653328D+01  0.199585D+02
      3  -0.259558D+01  0.123751D+02 -0.590814D+01 -0.759664D+01 -0.126714D+02
      4  -0.205971D+01 -0.996028D+01  0.156973D+01 -0.605684D+01 -0.157301D+01
      5  -0.699565D+01  0.260759D+01 -0.162864D+01 -0.114036D+02 -0.901843D+01
      6  -0.306555D+01  0.123407D+02 -0.537724D+01 -0.158522D+02 -0.171885D+02
                81            82            83            84            85 
      1   0.112545D+02  0.383798D+02  0.201414D+02  0.215936D+01  0.161850D+02
      2  -0.673370D+01 -0.126310D+02 -0.316734D+01 -0.886859D+00  0.145249D+01
      3  -0.452083D+01 -0.257487D+02 -0.169741D+02 -0.127250D+01 -0.176375D+02
      4  -0.104571D+02  0.416748D+02  0.318913D+02  0.229135D+01  0.359271D+02
      5  -0.144423D+02  0.480861D+01  0.257226D+01  0.667285D+01  0.550460D+01
      6  -0.188460D+02  0.596534D+00  0.532249D+00  0.303925D+01  0.251104D+01
                86            87            88            89            90 
      1   0.105956D+02  0.156904D+01 -0.176918D+00  0.194125D+00  0.288734D+00
      2   0.750412D+01 -0.575927D+00  0.153334D+01  0.147213D+01  0.547888D+00
      3  -0.180998D+02 -0.993109D+00 -0.135642D+01 -0.166625D+01 -0.836622D+00
      4   0.370599D+02  0.436268D+01  0.395298D+01  0.455120D+01  0.184252D+01
      5   0.510033D+01  0.485977D+01  0.124890D+01  0.697091D+00  0.473746D+00
      6   0.244875D+01  0.446793D+01  0.824803D+00  0.116728D+01  0.117019D+01
                91            92            93            94            95 
      1   0.902101D+02 -0.160564D+02 -0.962792D+01 -0.146809D+02  0.106389D+02
      2  -0.507587D+02  0.801141D+01  0.659073D+01  0.652384D+01 -0.435849D+01
      3  -0.394514D+02  0.804498D+01  0.303719D+01  0.815708D+01 -0.628039D+01
      4  -0.255436D+02  0.129121D+02  0.284862D+01  0.189150D+02 -0.890862D+01
      5  -0.147477D+02  0.271900D+01  0.107232D+02  0.546675D+01 -0.288727D+01
      6   0.130947D+00 -0.702755D+00 -0.128661D+01 -0.164677D+01  0.648717D+00
                96            97            98            99           100 
      1   0.295669D+01 -0.117134D+02  0.370264D+01  0.276732D+01 -0.371088D+01
      2  -0.220759D+01  0.639895D+01 -0.200354D+01 -0.158515D+01  0.529420D+01
      3  -0.749097D+00  0.531446D+01 -0.169910D+01 -0.118217D+01 -0.158332D+01
      4  -0.272220D+01  0.623108D+01 -0.308730D+01 -0.163875D+01 -0.208245D+00
      5  -0.273182D+01  0.303427D+01 -0.677275D+00 -0.214551D+01  0.115203D+00
      6   0.219705D+01 -0.472633D+00  0.862000D+00  0.808173D+00  0.205568D+01
               101           102           103           104           105 
      1   0.713802D+01  0.245942D+01  0.400129D+01 -0.383722D+02 -0.913932D+01
      2  -0.744590D+01 -0.172309D+01 -0.405508D+01  0.524327D+02  0.917204D+01
      3   0.307885D+00 -0.736332D+00  0.537961D-01 -0.140605D+02 -0.327230D-01
      4   0.709115D+01  0.115120D+01  0.563931D+01  0.110561D+02  0.291051D+01
      5   0.923510D+00  0.157758D+01  0.977971D+00  0.371849D+01  0.167884D+01
      6  -0.308792D+01 -0.163704D+01 -0.976648D+00  0.161037D+02  0.101995D+02
               106           107           108           109           110 
      1   0.109804D+01 -0.881238D+01 -0.347779D+01  0.200035D+01 -0.249376D+01
      2  -0.108526D+01  0.109489D+02  0.387258D+01  0.319531D+01 -0.340865D+01
      3  -0.127847D-01 -0.213652D+01 -0.394786D+00 -0.519565D+01  0.590240D+01
      4   0.125107D+01  0.187516D+01 -0.743020D+00 -0.119618D+02  0.161823D+02
      5   0.751507D+00  0.279957D+00 -0.316460D+00 -0.270777D+01  0.346680D+01
      6  -0.319263D+00  0.576851D+01  0.357871D+01  0.242741D+01 -0.284398D+01
               111           112           113           114           115 
      1  -0.332844D+00  0.223070D+01 -0.232874D+02 -0.504956D+01  0.114184D+00
      2  -0.288067D+00 -0.941024D+01  0.419829D+02  0.613462D+01 -0.172051D+01
      3   0.620912D+00  0.717954D+01 -0.186955D+02 -0.108506D+01  0.160632D+01
      4   0.367521D+01  0.184593D+02 -0.411416D+02 -0.858533D+01  0.479833D+01
      5   0.338928D+01  0.377754D+01 -0.771944D+01 -0.500178D+01  0.143239D+01
      6  -0.205407D+01 -0.416719D+01  0.134141D+02  0.941562D+01 -0.156460D+01
               116           117           118           119           120 
      1  -0.406367D+01 -0.260027D+01  0.436051D+01 -0.178994D+01 -0.307329D+01
      2   0.727534D+01  0.338225D+01 -0.368093D+01  0.978590D+00  0.260036D+01
      3  -0.321167D+01 -0.781987D+00 -0.679589D+00  0.811345D+00  0.472935D+00
      4  -0.985547D+01 -0.236457D+01 -0.802584D+01  0.942698D+01  0.443009D+01
      5  -0.209558D+01 -0.143716D+01 -0.805551D+01  0.391760D+01  0.112432D+02
      6   0.499593D+01  0.350217D+01  0.539324D+01 -0.267562D+01 -0.424557D+01
               121           122           123           124           125 
      1   0.595929D+00 -0.589405D+01 -0.548181D+01 -0.746856D+00 -0.555673D+01
      2  -0.871377D+00  0.594732D+01  0.298059D+01  0.365299D+01  0.530260D+00
      3   0.275448D+00 -0.532773D-01  0.250122D+01 -0.290614D+01  0.502647D+01
      4   0.136956D+02 -0.139278D+02 -0.926489D+01  0.777698D+01 -0.102401D+02
      5   0.587557D+01 -0.935064D+01 -0.122535D+02  0.160058D+02 -0.122772D+02
      6  -0.571018D+01  0.124926D+02  0.144975D+02 -0.936307D+01  0.142522D+02
               126           127           128           129           130 
      1  -0.941665D+01 -0.533497D+02  0.219923D+02 -0.455680D+01  0.128363D+02
      2  -0.565798D+01  0.206814D+02 -0.188402D+02  0.696248D+00 -0.103444D+02
      3   0.150746D+02  0.326683D+02 -0.315210D+01  0.386055D+01 -0.249186D+01
      4  -0.126381D+02  0.277004D+02  0.651819D+01 -0.486291D+01  0.126740D+02
      5  -0.222067D+02 -0.579505D+01 -0.178180D+01  0.109796D+02 -0.513358D+01
      6   0.190771D+02 -0.239215D+01  0.795897D+01 -0.583382D+01  0.667889D+01
               131           132           133           134           135 
      1   0.229924D+02 -0.839207D+00  0.373869D+01 -0.235860D+01  0.764774D+01
      2  -0.243247D+02  0.153942D+02 -0.343839D+01  0.120822D+02  0.795822D+01
      3   0.133228D+01 -0.145550D+02 -0.300303D+00 -0.972356D+01 -0.156060D+02
      4   0.470398D+01 -0.413058D+01 -0.154554D+02  0.152582D+01 -0.227045D+02
      5  -0.190715D+00 -0.152346D+02  0.188521D+02 -0.191192D+02 -0.247934D+01
      6   0.875997D+01  0.537099D+01 -0.127464D+02  0.825612D+01 -0.496307D+01
               136           137           138           139           140 
      1   0.468041D+01  0.342388D+01 -0.380172D+01  0.159130D+01 -0.500976D+01
      2  -0.463573D+01 -0.231175D+01  0.226988D+01 -0.140782D+01  0.129474D+01
      3  -0.446779D-01 -0.111212D+01  0.153184D+01 -0.183482D+00  0.371502D+01
      4   0.395683D+01  0.141289D+01 -0.287447D+01  0.434217D+01  0.355331D+01
      5  -0.488036D+01 -0.244187D+01  0.645063D+01 -0.335458D+01 -0.512434D+01
      6  -0.263731D+01 -0.434911D+00 -0.636889D-01 -0.220657D+01 -0.613277D+01
               141           142           143           144           145 
      1   0.347010D+01 -0.369941D+01  0.445487D+01 -0.134060D+02  0.659733D+02
      2  -0.118698D+00  0.807435D+01  0.192203D+01 -0.194993D+02 -0.318797D+02
      3  -0.335140D+01 -0.437494D+01 -0.637690D+01  0.329053D+02 -0.340936D+02
      4  -0.602095D+01 -0.622850D+01 -0.942389D+01  0.120307D+02  0.258582D+02
      5   0.664029D+01  0.157707D+02  0.109350D+02 -0.373122D+02  0.189727D+01
      6   0.107427D+02  0.621020D+01  0.104951D+02 -0.219407D+02  0.833468D+00
               146           147           148           149           150 
      1   0.984957D+01  0.603939D+01  0.561345D+01  0.554842D+01  0.100234D+00
      2  -0.287323D+01 -0.202233D+01 -0.303040D+00 -0.328385D+00  0.127993D+01
      3  -0.697634D+01 -0.401706D+01 -0.531041D+01 -0.522004D+01 -0.138017D+01
      4   0.146198D+02  0.137582D+01  0.124667D+02  0.517767D+01  0.185240D+01
      5  -0.498410D+00  0.932999D+01 -0.286127D+00  0.153590D+01  0.161217D+01
      6  -0.329211D+00  0.255291D+01 -0.325348D+00  0.824552D+00  0.212030D+01
               151           152           153           154           155 
      1   0.159411D+02  0.218451D+01  0.556138D+01 -0.319080D+00  0.498797D+01
      2  -0.768616D+01  0.111356D+01 -0.499716D+01  0.309754D+01 -0.575347D+01
      3  -0.825495D+01 -0.329807D+01 -0.564221D+00 -0.277846D+01  0.765493D+00
      4   0.702052D+01  0.470775D+01  0.424174D+01  0.126871D+01  0.779117D+01
      5   0.100155D+02  0.292596D+01  0.233961D+01 -0.521986D+00 -0.598351D+00
      6   0.271648D+01  0.188819D+01 -0.221731D+00 -0.258669D+01  0.117648D+01
               156           157           158           159           160 
      1  -0.205575D+01 -0.427625D+01 -0.396896D+02  0.725341D+01 -0.116585D+01
      2   0.148455D+01  0.795369D+01  0.643758D+02 -0.113976D+02 -0.145005D+01
      3   0.571202D+00 -0.367744D+01 -0.246862D+02  0.414424D+01  0.261590D+01
      4  -0.165742D+01  0.996157D+01  0.182002D+02 -0.297116D+01 -0.363387D+01
      5   0.289977D+01 -0.129986D+01 -0.272199D+01  0.280898D+01  0.373614D+01
      6   0.110679D+00 -0.224700D+01 -0.153450D+02  0.103383D+02  0.442871D+01
               161           162           163           164           165 
      1   0.134139D+02 -0.835735D+01  0.205500D+01 -0.121962D+01 -0.115552D+00
      2  -0.204475D+02  0.877849D+01 -0.360988D+01  0.135908D+01  0.131040D+00
      3   0.703355D+01 -0.421137D+00  0.155488D+01 -0.139460D+00 -0.154876D-01
      4  -0.598301D+01  0.404127D+01  0.703420D+01  0.679491D+01  0.609806D+01
      5   0.407797D+01 -0.392153D+00  0.688575D+01  0.467795D+01  0.100741D+02
      6   0.151171D+02 -0.619176D+01  0.652292D+01  0.439646D+01  0.682236D+01
               166           167           168           169           170 
      1  -0.430436D+01 -0.108271D+02 -0.476700D+01 -0.424826D+01 -0.112259D+02
      2   0.563708D+01  0.126282D+02  0.387066D+01  0.196483D+00  0.691259D+01
      3  -0.133272D+01 -0.180109D+01  0.896335D+00  0.405178D+01  0.431331D+01
      4   0.502858D+01  0.773398D+01  0.477928D+01  0.120425D+02  0.106104D+02
      5   0.261416D+01  0.476885D+01  0.408660D+01  0.135469D+02  0.115983D+02
      6   0.419864D+01  0.746298D+01  0.923944D+01  0.133927D+02  0.197225D+02
               171           172           173           174           175 
      1  -0.170453D+02  0.361471D+01 -0.107302D+01  0.518724D+01  0.300742D+01
      2   0.117637D+01 -0.367934D+01  0.186608D+01 -0.920829D-01 -0.216433D+01
      3   0.158689D+02  0.646302D-01 -0.793061D+00 -0.509516D+01 -0.843092D+00
      4   0.112965D+02 -0.655937D+00 -0.138565D+01 -0.657712D+00 -0.161734D+01
      5   0.204850D+02  0.211718D+01  0.109309D+01  0.213909D+00  0.448538D+01
      6   0.295501D+02  0.378811D+00 -0.162010D+01  0.190559D+01 -0.731211D+00
               176           177           178           179           180 
      1  -0.472392D+01 -0.313039D+01  0.507951D+01 -0.140659D+01 -0.131482D+02
      2  -0.170231D+00 -0.896922D+01 -0.341035D+01 -0.711550D+01 -0.174968D+02
      3   0.489415D+01  0.120996D+02 -0.166915D+01  0.852209D+01  0.306450D+02
      4   0.595422D+01  0.546245D+01 -0.199131D+01  0.741790D+01  0.744277D+01
      5   0.380749D+01  0.116672D+02  0.660506D+01  0.471418D+01  0.229717D+02
      6   0.199300D+01  0.565689D+00 -0.402800D+00  0.364110D+01 -0.534512D+01
               181           182           183           184           185 
      1   0.767546D+02 -0.134335D+02  0.179761D+01 -0.537311D+01  0.397353D+01
      2  -0.350357D+02  0.252629D+01 -0.317323D+01 -0.626109D+00  0.182827D+01
      3  -0.417189D+02  0.109072D+02  0.137562D+01  0.599922D+01 -0.580180D+01
      4  -0.421285D+02  0.199034D+02 -0.287733D+01  0.141099D+02 -0.909430D+01
      5   0.183678D+02 -0.463230D+01  0.119095D+02 -0.120574D+01  0.159000D+01
      6  -0.331734D+01  0.299865D+01 -0.491281D+01  0.117081D+01 -0.192792D+01
               186           187           188           189           190 
      1   0.110894D+00 -0.611439D+01  0.909502D+00  0.497737D+01 -0.242030D+00
      2  -0.110287D+01  0.102649D+01 -0.178799D+00 -0.446754D+01  0.357715D+01
      3   0.991976D+00  0.508791D+01 -0.730703D+00 -0.509835D+00 -0.333512D+01
      4   0.922670D+00  0.429827D+01 -0.221116D+01 -0.160456D+01 -0.106300D+01
      5  -0.914796D-01  0.836616D+01 -0.518838D+00  0.461020D+00 -0.892358D+00
      6   0.145719D+01 -0.302432D+01  0.123089D+01  0.476231D+00 -0.131138D+01
               191           192           193           194           195 
      1  -0.123255D+02  0.407012D+01 -0.879215D+01 -0.301475D+02  0.787715D+01
      2   0.137541D+02 -0.230002D+01  0.579489D+01  0.433158D+02 -0.765674D+01
      3  -0.142861D+01 -0.177010D+01  0.299726D+01 -0.131684D+02 -0.220417D+00
      4  -0.208040D+01  0.133926D+01  0.626147D+01 -0.246203D+02  0.638079D+01
      5  -0.230342D+00 -0.203536D+01 -0.347685D+01  0.415993D+01 -0.413076D+01
      6  -0.610215D+01  0.440205D+01 -0.887458D+00 -0.187092D+02  0.111551D+02
               196           197           198 
      1   0.764493D+00  0.577734D+01 -0.688853D+01
      2  -0.351213D+00 -0.498620D+01  0.348946D+01
      3  -0.413280D+00 -0.791148D+00  0.339907D+01
      4   0.744109D+00  0.346677D+01 -0.129452D+01
      5   0.840168D+00 -0.193525D+01  0.281620D+01
      6   0.171097D+01  0.921654D+01 -0.486004D+01
 Leave Link  716 at Fri Jul  9 00:29:22 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146655D+03  0.168329D+01 -0.233682D+01
      2   0.168329D+01  0.124780D+03  0.515670D+01
      3  -0.233682D+01  0.515670D+01  0.845431D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.292471D+01 -0.230701D+01  0.283697D+01
      2   0.100209D+02 -0.143232D+02  0.111994D+02
      3   0.142267D+01  0.343663D+02  0.115240D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.826576D+02 -0.120292D+02  0.796706D+01
      2   0.391122D+02  0.464788D+01 -0.545081D+01
      3   0.435454D+02  0.738133D+01 -0.251625D+01
      4  -0.212809D+02 -0.389894D+02 -0.305728D+02
      5   0.211581D+02 -0.308406D+02  0.323452D+02
      6  -0.135230D+02  0.692607D+01 -0.297608D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116398D+01 -0.171471D+01 -0.736224D+00 -0.545430D+01  0.237770D+00
      2  -0.171471D+01 -0.295170D+01 -0.748689D+00  0.237770D+00 -0.236277D+01
      3  -0.736224D+00 -0.748689D+00 -0.239612D+01  0.114258D+01  0.106560D+01
                 6             7             8             9            10 
      1   0.114258D+01 -0.183361D+01  0.732758D+00 -0.399774D+01 -0.525224D+01
      2   0.106560D+01  0.732758D+00  0.142711D+01 -0.318685D+01  0.149212D+01
      3  -0.223750D+01 -0.399774D+01 -0.318685D+01 -0.968770D+00 -0.447683D+00
                11            12            13            14            15 
      1   0.149212D+01 -0.447683D+00  0.273339D+01  0.204087D+01  0.136354D+01
      2  -0.290408D+01  0.182556D-02  0.204087D+01  0.186066D+01 -0.718897D+00
      3   0.182556D-02 -0.294306D+01  0.136354D+01 -0.718897D+00  0.686616D+00
                16            17            18            19            20 
      1   0.163104D+00  0.150218D+01 -0.516487D+01 -0.101254D+01  0.404965D+01
      2   0.150218D+01  0.266972D+00  0.113558D+01  0.404965D+01  0.149091D+01
      3  -0.516487D+01  0.113558D+01  0.182830D+01  0.622442D+00 -0.308728D+00
                21            22            23            24            25 
      1   0.622442D+00 -0.540273D+01  0.728911D+00 -0.137620D+00 -0.897483D+00
      2  -0.308728D+00  0.728911D+00 -0.249672D+01  0.996289D+00 -0.111336D+01
      3   0.815134D+00 -0.137620D+00  0.996289D+00 -0.191395D+01 -0.290489D+00
                26            27            28            29            30 
      1  -0.111336D+01 -0.290489D+00  0.137512D+02 -0.405419D+01 -0.269927D+00
      2   0.101672D+01 -0.364490D+01 -0.405419D+01  0.462803D+01  0.228150D+00
      3  -0.364490D+01 -0.267254D+01 -0.269927D+00  0.228150D+00  0.181552D+01
                31            32            33            34            35 
      1  -0.873800D+01 -0.194475D+01 -0.548926D+00 -0.187883D+01 -0.117161D+01
      2  -0.194475D+01 -0.161967D+00  0.993642D-01 -0.117161D+01 -0.401140D+00
      3  -0.548926D+00  0.993642D-01 -0.660879D-01  0.324547D+01 -0.152388D+01
                36            37            38            39            40 
      1   0.324547D+01  0.289236D+01  0.373551D+01  0.791196D+00  0.126705D+02
      2  -0.152388D+01  0.373551D+01  0.658132D+01  0.131823D+01  0.304602D+01
      3  -0.156941D+01  0.791196D+00  0.131823D+01  0.184850D+01  0.757131D-01
                41            42            43            44            45 
      1   0.304602D+01  0.757131D-01  0.291504D+01  0.310753D+00  0.223970D+01
      2   0.469533D+01 -0.455805D+00  0.310753D+00 -0.125688D+01  0.244441D+01
      3  -0.455805D+00  0.946756D+00  0.223970D+01  0.244441D+01  0.575814D+00
                46            47            48            49            50 
      1   0.147483D+01 -0.349629D+01 -0.437831D+00  0.524368D+01 -0.808070D+00
      2  -0.349629D+01 -0.281325D+01  0.434920D+00 -0.808070D+00  0.164432D+01
      3  -0.437831D+00  0.434920D+00  0.173158D+00  0.156306D+00 -0.847205D+00
                51            52            53            54            55 
      1   0.156306D+00  0.515549D+00  0.107894D+01 -0.178657D+01 -0.278251D+01
      2  -0.847205D+00  0.107894D+01 -0.717150D+00  0.356528D+01  0.283564D+01
      3   0.224369D+01 -0.178657D+01  0.356528D+01  0.234879D+01 -0.225867D+00
                56            57            58            59            60 
      1   0.283564D+01 -0.225867D+00  0.420210D+01 -0.431060D+01  0.687139D+00
      2  -0.297777D+01  0.766496D+00 -0.431060D+01 -0.186485D+01  0.167310D+01
      3   0.766496D+00 -0.226423D+01  0.687139D+00  0.167310D+01  0.335230D+01
                61            62            63            64            65 
      1  -0.231419D+01  0.119898D+01 -0.448319D+01 -0.614761D+01 -0.201014D+01
      2   0.119898D+01  0.703513D+00  0.446662D+01 -0.201014D+01  0.185808D+01
      3  -0.448319D+01  0.446662D+01  0.144209D+01 -0.234048D+01  0.203811D+00
                66            67            68            69            70 
      1  -0.234048D+01 -0.184333D+01  0.168275D+01  0.382863D+00 -0.400867D+01
      2   0.203811D+00  0.168275D+01  0.303456D+01 -0.136320D+01 -0.512163D-01
      3   0.571095D+00  0.382863D+00 -0.136320D+01 -0.144303D+01 -0.343221D+00
                71            72            73            74            75 
      1  -0.512163D-01 -0.343221D+00 -0.204812D+01 -0.310057D+00 -0.258696D+00
      2  -0.392957D+00 -0.231670D+01 -0.310057D+00 -0.192231D+01 -0.178656D+01
      3  -0.231670D+01  0.565001D+01 -0.258696D+00 -0.178656D+01 -0.172822D+01
                76            77            78            79            80 
      1  -0.557905D+00 -0.357210D+01 -0.138264D+01 -0.177699D+01 -0.272957D+01
      2  -0.357210D+01 -0.755324D+01  0.163916D+01 -0.272957D+01  0.175287D+01
      3  -0.138264D+01  0.163916D+01 -0.968828D+00 -0.329590D+01 -0.306149D+01
                81            82            83            84            85 
      1  -0.329590D+01 -0.718935D+01 -0.445167D+01 -0.378827D+00 -0.433438D+01
      2  -0.306149D+01 -0.445167D+01 -0.338162D+01 -0.232024D+00 -0.429331D+01
      3  -0.438985D+01 -0.378827D+00 -0.232024D+00 -0.594803D+00 -0.676320D+00
                86            87            88            89            90 
      1  -0.429331D+01 -0.676320D+00 -0.209061D+00 -0.501160D+00  0.779938D-01
      2  -0.484748D+01 -0.616839D+00 -0.501160D+00 -0.850128D+00  0.941367D-02
      3  -0.616839D+00 -0.607506D+00  0.779938D-01  0.941367D-02 -0.687219D-01
                91            92            93            94            95 
      1  -0.123997D+02  0.237581D+01  0.154890D+01  0.241302D+01 -0.201827D+01
      2   0.237581D+01 -0.115226D+01 -0.297934D+00 -0.201827D+01  0.990441D+00
      3   0.154890D+01 -0.297934D+00 -0.958083D+00 -0.668426D+00  0.331013D+00
                96            97            98            99           100 
      1  -0.668426D+00  0.167361D+01 -0.667130D+00 -0.665065D-01  0.503511D+00
      2   0.331013D+00 -0.667130D+00  0.282734D+00  0.600568D-01 -0.133917D+01
      3   0.314161D+00 -0.665065D-01  0.600568D-01  0.166715D+00 -0.327691D+00
               101           102           103           104           105 
      1  -0.133917D+01 -0.327691D+00 -0.920958D+00  0.778994D+00  0.156964D+00
      2   0.130422D+01  0.436965D+00  0.778994D+00 -0.970693D+01 -0.217644D+01
      3   0.436965D+00  0.223290D+00  0.156964D+00 -0.217644D+01 -0.130477D+01
               106           107           108           109           110 
      1  -0.311978D+00  0.427091D+00  0.248271D-01 -0.134775D+01  0.183570D+01
      2   0.427091D+00 -0.231361D+01 -0.524797D+00  0.183570D+01 -0.188052D+01
      3   0.248271D-01 -0.524797D+00 -0.309569D+00  0.467541D+00 -0.500346D+00
               111           112           113           114           115 
      1   0.467541D+00  0.164258D+01 -0.282807D+01 -0.643762D+00  0.464009D+00
      2  -0.500346D+00 -0.282807D+01  0.958360D+01  0.202556D+01 -0.798333D+00
      3  -0.368371D+00 -0.643762D+00  0.202556D+01  0.123196D+01 -0.226277D+00
               116           117           118           119           120 
      1  -0.798333D+00 -0.226277D+00  0.194219D+01 -0.140160D+01 -0.140838D+01
      2   0.207896D+01  0.446948D+00 -0.140160D+01  0.105415D+01  0.431867D+00
      3   0.446948D+00  0.298660D+00 -0.140838D+01  0.431867D+00  0.138195D+01
               121           122           123           124           125 
      1  -0.308607D+01  0.228806D+01  0.953538D+00 -0.245547D+01  0.123790D+01
      2   0.228806D+01 -0.309470D+01 -0.218321D+01  0.123790D+01 -0.242942D+01
      3   0.953538D+00 -0.218321D+01 -0.286110D+01  0.260193D+01 -0.290845D+01
               126           127           128           129           130 
      1   0.260193D+01 -0.836754D+01  0.171700D+01  0.748622D+00 -0.138836D+01
      2  -0.290845D+01  0.171700D+01  0.283183D+01 -0.124120D+01  0.317081D+01
      3  -0.527733D+01  0.748622D+00 -0.124120D+01  0.214807D+01 -0.142232D+01
               131           132           133           134           135 
      1   0.317081D+01 -0.142232D+01  0.546878D+01 -0.250804D+01  0.317156D+01
      2   0.333167D+01 -0.136689D+01 -0.250804D+01  0.241597D-01 -0.372881D+01
      3  -0.136689D+01 -0.329251D+01  0.317156D+01 -0.372881D+01 -0.143928D+01
               136           137           138           139           140 
      1   0.113014D+01  0.554349D+00 -0.939374D+00  0.567390D+00  0.374956D+00
      2   0.554349D+00 -0.159762D+00 -0.202472D+00  0.374956D+00  0.829441D+00
      3  -0.939374D+00 -0.202472D+00  0.188437D+00 -0.509087D+00 -0.122028D+01
               141           142           143           144           145 
      1  -0.509087D+00 -0.156394D+01 -0.625842D+00  0.223513D+01  0.108315D+02
      2  -0.122028D+01 -0.625842D+00 -0.186923D+01  0.245325D+01  0.206982D+01
      3   0.160793D+01  0.223513D+01  0.245325D+01 -0.857050D+01  0.918924D+00
               146           147           148           149           150 
      1   0.206982D+01  0.918924D+00  0.136418D+01  0.129834D+01  0.112659D-01
      2   0.139515D+01 -0.419209D-01  0.129834D+01  0.485526D+00  0.286160D+00
      3  -0.419209D-01  0.114427D+01  0.112659D-01  0.286160D+00  0.305564D+00
               151           152           153           154           155 
      1   0.325519D+01  0.568908D+00  0.145384D+01 -0.143091D+00  0.865065D+00
      2   0.568908D+00  0.684280D+00  0.511237D+00  0.865065D+00 -0.813066D+00
      3   0.145384D+01  0.511237D+00  0.747726D-01 -0.360243D+00  0.191620D+00
               156           157           158           159           160 
      1  -0.360243D+00  0.192482D+01  0.190604D+01 -0.189013D+00 -0.487691D+00
      2   0.191620D+00  0.190604D+01  0.106074D+02 -0.188412D+01 -0.163615D+00
      3   0.104932D+00 -0.189013D+00 -0.188412D+01  0.127132D+01  0.736632D+00
               161           162           163           164           165 
      1  -0.163615D+00  0.736632D+00  0.222204D+01  0.107837D+01  0.151734D+01
      2  -0.345586D+01  0.210383D+01  0.107837D+01  0.843540D+00  0.849245D+00
      3   0.210383D+01 -0.653441D+00  0.151734D+01  0.849245D+00  0.145489D+01
               166           167           168           169           170 
      1   0.718805D+00  0.160655D+01  0.712398D+00  0.399073D+01  0.254368D+01
      2   0.160655D+01  0.279894D+01  0.143042D+01  0.254368D+01  0.321845D+01
      3   0.712398D+00  0.143042D+01  0.115465D+01  0.285968D+01  0.340082D+01
               171           172           173           174           175 
      1   0.285968D+01  0.440950D+00  0.256895D+00  0.548576D+00  0.105488D+01
      2   0.340082D+01  0.256895D+00 -0.582218D+00  0.105215D+00 -0.419321D+00
      3   0.661791D+01  0.548576D+00  0.105215D+00 -0.946922D+00  0.484014D+00
               176           177           178           179           180 
      1  -0.419321D+00  0.484014D+00  0.105154D+01 -0.116868D-01  0.394416D+00
      2   0.103447D+01  0.111252D+01 -0.116868D-01  0.150619D+01  0.115923D+01
      3   0.111252D+01  0.276825D+01  0.394416D+00  0.115923D+01  0.593967D+01
               181           182           183           184           185 
      1   0.128927D+02 -0.313242D+01  0.937304D+00 -0.129391D+01  0.131818D+01
      2  -0.313242D+01  0.175067D+01 -0.398475D+00  0.131818D+01 -0.118017D+01
      3   0.937304D+00 -0.398475D+00  0.127975D+01  0.612731D-01  0.210183D+00
               186           187           188           189           190 
      1   0.612731D-01 -0.146572D+01  0.492164D+00  0.870852D+00 -0.227012D+00
      2   0.210183D+00  0.492164D+00 -0.406380D+00  0.596681D-01 -0.955679D+00
      3   0.171988D+00  0.870852D+00  0.596681D-01 -0.853083D-03  0.303717D-01
               191           192           193           194           195 
      1  -0.955679D+00  0.303717D-01 -0.151537D+01 -0.283752D+00 -0.948033D-02
      2  -0.219933D+01  0.790007D+00 -0.283752D+00 -0.762758D+01  0.196353D+01
      3   0.790007D+00 -0.949185D+00 -0.948033D-02  0.196353D+01 -0.135989D+01
               196           197           198 
      1  -0.293925D+00  0.248196D+00 -0.257266D+00
      2   0.248196D+00  0.113081D+01 -0.920451D+00
      3  -0.257266D+00 -0.920451D+00  0.977538D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.198970D+01  0.905916D+00 -0.430297D+01  0.269987D+01 -0.631027D+00
      2   0.242221D+01  0.164969D+01  0.475449D+01 -0.245071D+01 -0.294360D+01
      3  -0.668073D+01 -0.109834D+02 -0.108836D+01  0.840277D+01 -0.401136D+01
                 6             7             8             9            10 
      1  -0.994138D+00 -0.802338D+01  0.489882D+01  0.204572D+01  0.635550D+00
      2   0.703861D+01  0.835967D-02  0.108269D+02  0.386591D+01 -0.879621D+00
      3   0.152053D+01  0.294786D+01  0.333178D+01 -0.473887D+01  0.509575D+01
                11            12            13            14            15 
      1   0.401647D+00  0.217540D+01  0.217871D-02 -0.275302D+01  0.243599D+01
      2  -0.192414D+00  0.860742D+01 -0.395104D+01  0.790831D+00 -0.282406D+01
      3  -0.916185D+01 -0.233263D+00  0.111718D+02  0.421447D+01 -0.195692D+01
                16            17            18            19            20 
      1   0.451274D+01  0.107746D+02  0.223942D+01  0.104334D+01 -0.132420D+01
      2   0.761308D+01 -0.511646D+01 -0.469749D+01 -0.505192D+01  0.320437D+01
      3   0.349942D+01 -0.128891D+01  0.205297D+01  0.942247D+01 -0.610040D+01
                21            22            23            24            25 
      1   0.315197D+01 -0.722686D+00  0.112979D+01 -0.372289D+01  0.331611D+01
      2  -0.171058D+01  0.143543D+01  0.717168D+00  0.257835D+01 -0.139202D+02
      3  -0.380316D+01  0.610370D+01 -0.783426D+01 -0.572147D-02 -0.360833D+01
                26            27            28            29            30 
      1   0.273208D+00 -0.144643D+01  0.187866D+00  0.131569D+00  0.203122D+01
      2   0.314132D+01  0.357055D+01  0.243912D+01 -0.355174D+01 -0.190218D+01
      3   0.805151D+00 -0.545457D+01 -0.543977D+01  0.124660D+02  0.198036D+01
                31            32            33            34            35 
      1   0.286006D+00 -0.340847D+01 -0.103718D+01  0.393915D+01  0.992511D+01
      2  -0.167846D+01  0.612984D+00  0.288007D+00 -0.142084D+02 -0.691921D+00
      3   0.112297D+02 -0.924112D+01  0.166435D+01 -0.505064D+00 -0.151994D+01
                36            37            38            39            40 
      1   0.847680D+00 -0.185874D+01 -0.266693D+00 -0.162048D+01  0.658847D+00
      2   0.972201D+00 -0.336987D+00 -0.480123D-02 -0.188966D+01  0.406943D+01
      3  -0.233999D+01 -0.271789D+01  0.964792D+01  0.254043D+01  0.122165D+02
                41            42            43            44            45 
      1  -0.549380D+00 -0.456796D+00 -0.410055D+01  0.732573D+01  0.153245D+01
      2  -0.275321D+01 -0.148903D+01 -0.139366D+02 -0.736986D+00 -0.616392D-01
      3   0.177296D+02  0.117604D+01 -0.879352D+00  0.293557D+01  0.458550D+01
                46            47            48            49            50 
      1   0.621396D+00 -0.927127D+00 -0.110444D+01 -0.680517D+00  0.126651D+00
      2   0.721390D+00  0.211451D+01 -0.103047D+01  0.219916D+01  0.235100D+01
      3  -0.505119D+01 -0.153737D+02 -0.212724D+01  0.119067D+00  0.423470D+01
                51            52            53            54            55 
      1  -0.384183D+01  0.271032D+01  0.931907D+00 -0.973933D+00 -0.186997D+01
      2  -0.579292D+01 -0.106750D+02 -0.861002D+01 -0.348651D+01 -0.291078D+00
      3  -0.153997D+01 -0.195315D+01 -0.182489D+01  0.533527D+01 -0.738168D+00
                56            57            58            59            60 
      1   0.783680D+00 -0.277984D+01  0.334070D+00  0.473507D+01  0.225254D+00
      2   0.272542D+01 -0.109551D+01  0.372012D+01  0.466070D+00  0.629614D+01
      3  -0.338111D+01  0.863405D+00  0.101790D+02  0.121571D+02 -0.493647D+01
                61            62            63            64            65 
      1  -0.596309D+01  0.718361D+01  0.618649D-01  0.429594D+01 -0.222899D+01
      2  -0.145984D+02  0.945163D+01  0.919238D+00 -0.124713D+02 -0.717656D+00
      3   0.193886D+01 -0.535518D+01 -0.458356D+01  0.671326D+00 -0.112777D+02
                66            67            68            69            70 
      1  -0.698636D+00 -0.102604D+01 -0.248279D+01  0.131921D+01  0.909735D+00
      2   0.140584D+01  0.520263D+00 -0.627253D+00 -0.398094D+01 -0.854195D+01
      3  -0.373400D+01 -0.727662D+01 -0.736055D+01  0.521825D+01 -0.643209D+01
                71            72            73            74            75 
      1   0.549924D+01 -0.433249D+01  0.128541D+01  0.487153D+01  0.365199D+01
      2  -0.691323D+01  0.129485D+02  0.249377D+00 -0.154218D+01  0.431078D-01
      3   0.343046D+01  0.529803D+01 -0.424603D+01 -0.270086D+01  0.140142D+01
                76            77            78            79            80 
      1   0.215066D+01 -0.836181D+01  0.464954D+00  0.991567D+01  0.124957D+02
      2  -0.192321D+01  0.270510D+01  0.269110D+00 -0.804107D+01 -0.247960D+01
      3   0.117561D+02 -0.461648D+00 -0.752352D+01  0.715181D-01 -0.128837D+02
                81            82            83            84            85 
      1   0.951077D+01  0.260578D+00  0.484312D+00 -0.232967D+01 -0.451607D+00
      2  -0.324021D+01 -0.487819D+00 -0.409948D+00  0.363954D+01  0.945343D+00
      3  -0.534309D+01 -0.175192D+01 -0.553672D+01  0.293683D-01 -0.387758D+01
                86            87            88            89            90 
      1  -0.783186D-01 -0.263502D+01  0.126943D+01  0.145596D+01 -0.174944D+00
      2   0.985731D+00  0.307274D+01 -0.171611D+01 -0.112887D+01  0.153930D+00
      3  -0.876627D+01 -0.789260D+00 -0.107151D+01 -0.163433D+01  0.211592D+00
                91            92            93            94            95 
      1  -0.173086D+00 -0.586264D+00  0.117596D+01 -0.338098D-01  0.175729D+00
      2  -0.183774D+01  0.353388D+00  0.593606D+01  0.161330D+01 -0.745503D+00
      3   0.190913D+01 -0.551786D+01 -0.274412D+00 -0.396112D+01  0.279907D+01
                96            97            98            99           100 
      1  -0.743267D+00 -0.866194D+00  0.626216D+00 -0.124844D+00  0.258605D+00
      2  -0.169549D+01 -0.250076D+01  0.550935D+00 -0.589373D+00  0.682103D+00
      3   0.734618D+00 -0.185067D+01  0.148110D+01  0.598994D-01 -0.382133D+01
               101           102           103           104           105 
      1   0.559739D-01  0.977810D+00 -0.224319D+00  0.811527D+00 -0.463825D+01
      2  -0.964543D+00  0.936620D-02 -0.128400D+01  0.243235D+01  0.611380D+00
      3   0.388671D+01  0.102662D+01  0.631208D+01 -0.123870D+02 -0.291038D+01
               106           107           108           109           110 
      1  -0.252201D+00  0.220889D+01 -0.634870D+00 -0.175396D+00  0.134704D+00
      2  -0.131955D+01  0.578463D+00 -0.424370D-01 -0.357379D+00  0.403193D+00
      3   0.142129D+01 -0.317561D+01 -0.403749D+00  0.797817D+00 -0.106610D+01
               111           112           113           114           115 
      1   0.114693D+01  0.125945D+00  0.614128D+00 -0.461796D+01 -0.341901D+00
      2   0.102791D+01  0.131094D+00 -0.317413D+01 -0.268608D+01 -0.920303D+00
      3  -0.296331D+00  0.823570D+00  0.144009D+02  0.294918D+01 -0.159720D+00
               116           117           118           119           120 
      1   0.203005D+01 -0.633589D+00 -0.778952D+00 -0.582742D+00  0.144265D+01
      2  -0.254785D-01 -0.333450D+00 -0.993440D+00  0.384075D+00  0.283716D+01
      3   0.318807D+01  0.220053D+00  0.126588D+01 -0.326075D+01  0.213470D+00
               121           122           123           124           125 
      1   0.193982D+00  0.625653D+00 -0.269324D+01  0.197075D+01  0.109822D+01
      2  -0.255472D+00 -0.254480D+01 -0.510342D+01  0.122980D+01 -0.402694D+01
      3   0.763454D+00  0.351800D+01  0.372876D+01  0.107994D+01  0.483245D+01
               126           127           128           129           130 
      1  -0.361463D+01  0.309185D+01  0.193692D+01  0.297490D+01 -0.162083D+01
      2  -0.803393D+01  0.116597D+02 -0.657854D+01  0.804264D+01 -0.627695D+01
      3   0.387147D+01  0.939198D+01 -0.135937D+02  0.159171D+01 -0.576261D+01
               131           132           133           134           135 
      1   0.387281D+01 -0.112091D+02  0.274627D+01 -0.627535D+01 -0.644773D+01
      2  -0.555275D+01 -0.764569D+01  0.565345D+01 -0.815628D+01 -0.578141D+01
      3  -0.169978D+02  0.692432D+01  0.609215D-02  0.685039D+01  0.510455D+01
               136           137           138           139           140 
      1   0.547590D-01  0.682045D+00 -0.212028D-02  0.717503D+00  0.303973D-01
      2  -0.434230D+00 -0.123577D+00  0.839978D+00 -0.331630D+00 -0.250810D+01
      3  -0.699551D+00  0.762334D+00 -0.203923D+00  0.271637D+01 -0.117911D+01
               141           142           143           144           145 
      1  -0.134179D+01 -0.137990D+01  0.223931D+01  0.653586D+01 -0.236675D+01
      2   0.335713D+01  0.731698D+00  0.456681D+01 -0.181222D+02  0.897276D+01
      3   0.236153D+01 -0.985081D+00  0.501716D+01 -0.269615D+01  0.655302D+01
               146           147           148           149           150 
      1  -0.799260D+00 -0.160579D+01 -0.756666D+00 -0.454168D+00 -0.132323D+01
      2   0.123804D+01  0.650343D+01  0.966047D+00  0.150856D+01  0.114619D+01
      3  -0.554657D+01  0.113213D+01 -0.572240D+00  0.196945D+00 -0.125047D+01
               151           152           153           154           155 
      1  -0.163728D+01 -0.664790D-01 -0.788137D+00  0.440868D+00 -0.831677D+00
      2   0.425685D+01  0.148602D+01  0.170821D+01  0.171931D+00  0.570439D+00
      3   0.236889D+01 -0.273074D+01  0.168267D+00 -0.150073D+01  0.232310D+00
               156           157           158           159           160 
      1  -0.220821D-01  0.179760D+01  0.593977D+01 -0.585434D+01 -0.191844D+01
      2   0.113733D+01 -0.448045D+00 -0.224692D+01  0.133218D+01  0.211486D+00
      3  -0.137549D+01  0.481692D+01 -0.887645D+01  0.228602D+01 -0.226646D+01
               161           162           163           164           165 
      1  -0.409811D+01  0.232635D+01 -0.311281D+01 -0.110110D+01 -0.354994D+01
      2   0.151460D+01 -0.869666D+00 -0.496890D+00  0.712368D+00  0.252082D+01
      3   0.487806D+01 -0.934756D+00  0.578420D+01 -0.137916D+00  0.216930D+01
               166           167           168           169           170 
      1  -0.131924D+01 -0.158667D+01 -0.309131D+01 -0.653281D+01 -0.487773D+01
      2   0.599605D+00  0.104615D+01  0.143297D+01  0.835162D+00  0.292342D+01
      3  -0.299776D+00 -0.328499D+00  0.799852D-01  0.663617D+01  0.164021D+01
               171           172           173           174           175 
      1  -0.150500D+02  0.128768D+01 -0.144276D+01 -0.133771D+01 -0.579324D+00
      2   0.654867D+01  0.159203D+01 -0.292086D+00 -0.222065D+01 -0.107745D+01
      3   0.212816D+01 -0.967819D+00  0.852101D+00 -0.651113D+00  0.109228D+01
               176           177           178           179           180 
      1   0.502831D+01  0.466170D+01 -0.159821D+00  0.668177D+01  0.103496D+02
      2   0.349759D+01  0.660562D+01 -0.319039D+01  0.365195D+01  0.139016D+02
      3  -0.272151D+01 -0.339999D+01 -0.712842D+00 -0.423733D+01 -0.367442D+01
               181           182           183           184           185 
      1   0.878153D-01  0.108718D+01  0.247854D+01  0.817231D+00 -0.549885D+00
      2  -0.772017D+01  0.922148D+00  0.630606D+01  0.126295D+01 -0.442896D-01
      3  -0.132843D+02 -0.353565D+01 -0.172443D+00  0.192704D+00  0.175809D+01
               186           187           188           189           190 
      1  -0.251743D+00  0.112432D+01  0.102366D+01  0.169734D+00 -0.122626D+01
      2   0.858937D-01  0.119752D+01  0.377182D+00 -0.520500D+00  0.127864D+01
      3  -0.529652D+00  0.521537D+00 -0.180151D+00 -0.178778D+01  0.516534D+01
               191           192           193           194           195 
      1  -0.138465D+01 -0.185368D+01 -0.119953D+01 -0.481189D+01 -0.292919D+01
      2   0.267743D+01 -0.148796D+01  0.221423D+01  0.602701D+01 -0.289669D+01
      3   0.693106D+01 -0.156737D+01  0.719537D+01  0.199986D+02 -0.496863D+01
               196           197           198 
      1  -0.396373D+00  0.104146D+01  0.118103D+01
      2  -0.151023D+01 -0.202543D+01  0.235736D+01
      3  -0.673055D-01 -0.355964D+01  0.292117D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412873D+01 -0.226400D+02 -0.346993D+01  0.314434D+02  0.196124D+01
      2  -0.494872D+00  0.160166D+02 -0.182726D+01 -0.305349D+02 -0.523642D+01
      3   0.462360D+01  0.662335D+01  0.529719D+01 -0.908484D+00  0.327518D+01
      4  -0.186144D+02  0.133912D+02  0.545907D+01  0.358922D+01 -0.145793D+02
      5   0.201822D+01  0.363111D+01  0.111462D+02 -0.655204D+01 -0.879328D+01
      6   0.288943D+01  0.269111D+01  0.990495D+01 -0.875872D+01 -0.503076D+01
                 6             7             8             9            10 
      1  -0.244200D+00  0.123240D+02  0.418339D+01  0.660019D+01 -0.854379D+01
      2   0.234982D+01 -0.130943D+02 -0.657990D+01 -0.111558D+02  0.457002D+01
      3  -0.210561D+01  0.770264D+00  0.239651D+01  0.455557D+01  0.397378D+01
      4  -0.110828D+02 -0.131218D+01 -0.103279D+02  0.133105D+02  0.493562D+01
      5   0.145145D+02  0.271542D+02  0.156241D+02  0.793849D+01  0.686105D+01
      6   0.311111D+01  0.833340D+01  0.120826D+02 -0.267515D+01  0.284197D-01
                11            12            13            14            15 
      1   0.563623D+01  0.759511D+01 -0.242592D+02 -0.194205D+02 -0.679537D+01
      2  -0.293654D+01 -0.217385D+01  0.211963D+02  0.189496D+02  0.891591D+01
      3  -0.269969D+01 -0.542126D+01  0.306290D+01  0.470804D+00 -0.212055D+01
      4   0.246302D+02 -0.321609D+00 -0.224344D+02  0.135699D+02  0.862341D+01
      5  -0.712646D+00  0.185621D+02 -0.122096D+02  0.561592D+01 -0.584857D+01
      6   0.244129D+00 -0.455301D+01  0.718052D+01  0.457929D+01 -0.454702D+01
                16            17            18            19            20 
      1   0.403067D+01 -0.909736D+01  0.128305D+02  0.118982D+02  0.659631D+01
      2   0.259421D+01  0.633156D+01 -0.181976D+02 -0.915804D+01 -0.811293D+01
      3  -0.662488D+01  0.276581D+01  0.536708D+01 -0.274011D+01  0.151663D+01
      4  -0.139750D+02  0.393298D+01 -0.378099D+01  0.856925D+01 -0.238394D+02
      5   0.350500D+02 -0.590723D+01 -0.969685D+01 -0.212726D+01 -0.215089D+01
      6  -0.182162D+01  0.704336D+01 -0.343325D+01 -0.153406D+01  0.190306D+01
                21            22            23            24            25 
      1  -0.183929D+01  0.663166D+01  0.917613D+01  0.536040D+01 -0.160662D+01
      2   0.210672D+01 -0.920960D-01 -0.147994D+02 -0.883880D+01  0.160551D+01
      3  -0.267431D+00 -0.653957D+01  0.562323D+01  0.347840D+01  0.111049D-02
      4  -0.424682D+01  0.172286D+02  0.108519D+02  0.227340D+00  0.136309D+01
      5  -0.611181D+01  0.874530D+00  0.731860D+00  0.373758D+01  0.230507D+01
      6  -0.645113D+01  0.291876D+01 -0.125920D+02  0.560665D+01  0.687896D-01
                26            27            28            29            30 
      1   0.385144D+01 -0.151027D+02 -0.222168D+02  0.909635D+01  0.300925D+01
      2  -0.105277D+02  0.560941D+00  0.135430D+02 -0.495925D+01  0.564377D-01
      3   0.667630D+01  0.145417D+02  0.867383D+01 -0.413711D+01 -0.306569D+01
      4   0.345525D+01  0.975054D+01 -0.109365D+02  0.968947D+01  0.656859D+00
      5   0.865416D+01  0.782914D+01  0.440517D+01 -0.127567D+01 -0.196705D+01
      6   0.144658D+02  0.595991D+01 -0.277929D+01 -0.306743D+00 -0.271784D+01
                31            32            33            34            35 
      1  -0.324925D+01 -0.296822D+01 -0.208811D+00  0.742230D+01 -0.142612D+01
      2   0.815739D+01  0.919396D+01  0.199138D+01 -0.891782D-01 -0.101169D+00
      3  -0.490814D+01 -0.622574D+01 -0.178257D+01 -0.733312D+01  0.152729D+01
      4  -0.490610D+01  0.962572D+01  0.116582D+01 -0.433362D+01  0.117360D+01
      5  -0.274365D+01 -0.316698D+00 -0.293903D+00  0.402062D+01 -0.859186D+00
      6   0.559834D+01  0.239313D+01  0.167843D+01 -0.155306D+01  0.653242D+01
                36            37            38            39            40 
      1  -0.916421D+01 -0.162281D+02 -0.254079D+02 -0.497360D+01 -0.690223D+01
      2  -0.308159D+01  0.117502D+02  0.179871D+02  0.278725D+01 -0.245230D+01
      3   0.122458D+02  0.447787D+01  0.742077D+01  0.218635D+01  0.935453D+01
      4  -0.334142D+01 -0.594324D+01 -0.460675D+01  0.198849D+01  0.433997D+01
      5   0.884082D+00 -0.116008D+01  0.225306D+01 -0.167409D+01  0.458136D+01
      6  -0.539749D+00  0.623994D+01  0.383548D+01  0.312287D+01 -0.636921D+01
                41            42            43            44            45 
      1  -0.758600D+01  0.351820D+01 -0.264864D+00  0.643187D+01 -0.108683D+02
      2   0.794138D+01  0.134883D+00 -0.149776D+01 -0.510384D+01  0.101931D+01
      3  -0.355381D+00 -0.365308D+01  0.176262D+01 -0.132803D+01  0.984903D+01
      4  -0.755695D+01 -0.215099D+01  0.189127D+01 -0.235967D+00 -0.148735D+01
      5  -0.171904D+01 -0.237050D+01  0.450496D+01 -0.291299D+01  0.229568D+00
      6  -0.528891D+00  0.234717D+01  0.987482D+00  0.901532D+01 -0.140114D+01
                46            47            48            49            50 
      1   0.157159D+02  0.173410D+02 -0.117091D+01 -0.183428D+02  0.134038D+02
      2  -0.134394D+02 -0.122472D+02 -0.136160D+01  0.157335D+02 -0.194653D+02
      3  -0.227649D+01 -0.509388D+01  0.253251D+01  0.260933D+01  0.606157D+01
      4   0.751656D+01 -0.165550D+02 -0.570401D+01  0.136364D+02 -0.425092D+01
      5   0.369204D+01 -0.465880D+01 -0.490297D+01  0.109677D+01  0.463725D+01
      6  -0.665410D+01  0.146891D+01  0.677133D+00  0.372578D+01 -0.116757D+02
                51            52            53            54            55 
      1   0.358749D+01 -0.611385D+01 -0.138111D+01 -0.750348D+01  0.197573D+02
      2  -0.768712D+01  0.788586D+01 -0.689778D+01 -0.437554D+01 -0.985921D+01
      3   0.409962D+01 -0.177201D+01  0.827888D+01  0.118790D+02 -0.989808D+01
      4   0.465802D+01 -0.264375D+01  0.983902D+01 -0.140156D+02  0.995881D+01
      5  -0.108482D+02  0.880902D+01 -0.131788D+02 -0.724248D+01 -0.211169D+01
      6   0.645315D+01 -0.474323D+01  0.131586D+02  0.298833D+01  0.306868D+01
                56            57            58            59            60 
      1  -0.534370D+01  0.320599D+01 -0.443480D+01 -0.557286D+01  0.390529D+01
      2   0.292310D+01 -0.157399D+01 -0.397144D+00  0.458200D+01 -0.406872D+01
      3   0.242060D+01 -0.163200D+01  0.483195D+01  0.990866D+00  0.163430D+00
      4  -0.120770D+02  0.276994D+01 -0.236061D+02 -0.636320D+01  0.587135D+01
      5   0.326302D+01 -0.103903D+02  0.550826D+01  0.740885D+01  0.152426D+02
      6  -0.148908D+01  0.791120D+01  0.282971D+01 -0.373717D+01 -0.130843D+02
                61            62            63            64            65 
      1  -0.580123D+01  0.605378D+01  0.178751D+01 -0.334894D+02 -0.127221D+02
      2  -0.257269D+00  0.876046D+00 -0.127241D+01  0.103165D+02  0.963640D+01
      3   0.605850D+01 -0.692983D+01 -0.515105D+00  0.231729D+02  0.308567D+01
      4   0.112398D+02 -0.855147D+00  0.231576D+02 -0.156243D+02  0.133418D+01
      5  -0.234485D+02  0.208970D+02  0.490449D+01 -0.111439D+02  0.105553D+00
      6   0.180318D+02 -0.158658D+02 -0.823044D+01 -0.401100D+01  0.600671D+00
                66            67            68            69            70 
      1  -0.117750D+02 -0.107928D+02  0.700489D+01  0.451658D+00 -0.214334D+02
      2   0.738885D+01  0.100078D+02  0.471698D+00 -0.657593D+01  0.920343D+01
      3   0.438611D+01  0.785002D+00 -0.747658D+01  0.612428D+01  0.122300D+02
      4  -0.314113D+01  0.500376D+01  0.145997D+02 -0.419432D+01 -0.697951D+01
      5   0.315937D+01  0.249479D+01 -0.685904D+01 -0.641465D+01 -0.542416D+00
      6   0.414121D+00 -0.205745D+01 -0.262537D+01 -0.341230D+01 -0.315887D+01
                71            72            73            74            75 
      1  -0.197966D+01  0.690150D+01  0.236861D+01  0.105467D+02  0.815330D+01
      2  -0.891887D+01  0.113729D+02  0.506710D+01 -0.412459D+01 -0.713181D+01
      3   0.108985D+02 -0.182744D+02 -0.743571D+01 -0.642207D+01 -0.102149D+01
      4   0.123713D+01 -0.110437D+02  0.391510D+01  0.173456D+01 -0.258386D+01
      5  -0.102203D+02  0.240014D+02  0.638572D+00 -0.448517D+01 -0.670655D+01
      6  -0.107774D+01  0.166940D+02 -0.334216D+01 -0.821371D+01 -0.710753D+01
                76            77            78            79            80 
      1   0.201492D+02  0.250177D+02 -0.794269D+01  0.141299D+02 -0.728710D+01
      2  -0.175536D+02 -0.373928D+02  0.138508D+02 -0.653328D+01  0.199585D+02
      3  -0.259558D+01  0.123751D+02 -0.590814D+01 -0.759664D+01 -0.126714D+02
      4  -0.205971D+01 -0.996028D+01  0.156973D+01 -0.605684D+01 -0.157301D+01
      5  -0.699565D+01  0.260759D+01 -0.162864D+01 -0.114036D+02 -0.901843D+01
      6  -0.306555D+01  0.123407D+02 -0.537724D+01 -0.158522D+02 -0.171885D+02
                81            82            83            84            85 
      1   0.112545D+02  0.383798D+02  0.201414D+02  0.215936D+01  0.161850D+02
      2  -0.673370D+01 -0.126310D+02 -0.316734D+01 -0.886859D+00  0.145249D+01
      3  -0.452083D+01 -0.257487D+02 -0.169741D+02 -0.127250D+01 -0.176375D+02
      4  -0.104571D+02  0.416748D+02  0.318913D+02  0.229135D+01  0.359271D+02
      5  -0.144423D+02  0.480861D+01  0.257226D+01  0.667285D+01  0.550460D+01
      6  -0.188460D+02  0.596534D+00  0.532249D+00  0.303925D+01  0.251104D+01
                86            87            88            89            90 
      1   0.105956D+02  0.156904D+01 -0.176918D+00  0.194125D+00  0.288734D+00
      2   0.750412D+01 -0.575927D+00  0.153334D+01  0.147213D+01  0.547888D+00
      3  -0.180998D+02 -0.993109D+00 -0.135642D+01 -0.166625D+01 -0.836622D+00
      4   0.370599D+02  0.436268D+01  0.395298D+01  0.455120D+01  0.184252D+01
      5   0.510033D+01  0.485977D+01  0.124890D+01  0.697091D+00  0.473746D+00
      6   0.244875D+01  0.446793D+01  0.824803D+00  0.116728D+01  0.117019D+01
                91            92            93            94            95 
      1   0.902101D+02 -0.160564D+02 -0.962792D+01 -0.146809D+02  0.106389D+02
      2  -0.507587D+02  0.801141D+01  0.659073D+01  0.652384D+01 -0.435849D+01
      3  -0.394514D+02  0.804498D+01  0.303719D+01  0.815708D+01 -0.628039D+01
      4  -0.255436D+02  0.129121D+02  0.284862D+01  0.189150D+02 -0.890862D+01
      5  -0.147477D+02  0.271900D+01  0.107232D+02  0.546675D+01 -0.288727D+01
      6   0.130947D+00 -0.702755D+00 -0.128661D+01 -0.164677D+01  0.648717D+00
                96            97            98            99           100 
      1   0.295669D+01 -0.117134D+02  0.370264D+01  0.276732D+01 -0.371088D+01
      2  -0.220759D+01  0.639895D+01 -0.200354D+01 -0.158515D+01  0.529420D+01
      3  -0.749097D+00  0.531446D+01 -0.169910D+01 -0.118217D+01 -0.158332D+01
      4  -0.272220D+01  0.623108D+01 -0.308730D+01 -0.163875D+01 -0.208245D+00
      5  -0.273182D+01  0.303427D+01 -0.677275D+00 -0.214551D+01  0.115203D+00
      6   0.219705D+01 -0.472633D+00  0.862000D+00  0.808173D+00  0.205568D+01
               101           102           103           104           105 
      1   0.713802D+01  0.245942D+01  0.400129D+01 -0.383722D+02 -0.913932D+01
      2  -0.744590D+01 -0.172309D+01 -0.405508D+01  0.524327D+02  0.917204D+01
      3   0.307885D+00 -0.736332D+00  0.537961D-01 -0.140605D+02 -0.327230D-01
      4   0.709115D+01  0.115120D+01  0.563931D+01  0.110561D+02  0.291051D+01
      5   0.923510D+00  0.157758D+01  0.977971D+00  0.371849D+01  0.167884D+01
      6  -0.308792D+01 -0.163704D+01 -0.976648D+00  0.161037D+02  0.101995D+02
               106           107           108           109           110 
      1   0.109804D+01 -0.881238D+01 -0.347779D+01  0.200035D+01 -0.249376D+01
      2  -0.108526D+01  0.109489D+02  0.387258D+01  0.319531D+01 -0.340865D+01
      3  -0.127847D-01 -0.213652D+01 -0.394786D+00 -0.519565D+01  0.590240D+01
      4   0.125107D+01  0.187516D+01 -0.743020D+00 -0.119618D+02  0.161823D+02
      5   0.751507D+00  0.279957D+00 -0.316460D+00 -0.270777D+01  0.346680D+01
      6  -0.319263D+00  0.576851D+01  0.357871D+01  0.242741D+01 -0.284398D+01
               111           112           113           114           115 
      1  -0.332844D+00  0.223070D+01 -0.232874D+02 -0.504956D+01  0.114184D+00
      2  -0.288067D+00 -0.941024D+01  0.419829D+02  0.613462D+01 -0.172051D+01
      3   0.620912D+00  0.717954D+01 -0.186955D+02 -0.108506D+01  0.160632D+01
      4   0.367521D+01  0.184593D+02 -0.411416D+02 -0.858533D+01  0.479833D+01
      5   0.338928D+01  0.377754D+01 -0.771944D+01 -0.500178D+01  0.143239D+01
      6  -0.205407D+01 -0.416719D+01  0.134141D+02  0.941562D+01 -0.156460D+01
               116           117           118           119           120 
      1  -0.406367D+01 -0.260027D+01  0.436051D+01 -0.178994D+01 -0.307329D+01
      2   0.727534D+01  0.338225D+01 -0.368093D+01  0.978590D+00  0.260036D+01
      3  -0.321167D+01 -0.781987D+00 -0.679589D+00  0.811345D+00  0.472935D+00
      4  -0.985547D+01 -0.236457D+01 -0.802584D+01  0.942698D+01  0.443009D+01
      5  -0.209558D+01 -0.143716D+01 -0.805551D+01  0.391760D+01  0.112432D+02
      6   0.499593D+01  0.350217D+01  0.539324D+01 -0.267562D+01 -0.424557D+01
               121           122           123           124           125 
      1   0.595929D+00 -0.589405D+01 -0.548181D+01 -0.746856D+00 -0.555673D+01
      2  -0.871377D+00  0.594732D+01  0.298059D+01  0.365299D+01  0.530260D+00
      3   0.275448D+00 -0.532773D-01  0.250122D+01 -0.290614D+01  0.502647D+01
      4   0.136956D+02 -0.139278D+02 -0.926489D+01  0.777698D+01 -0.102401D+02
      5   0.587557D+01 -0.935064D+01 -0.122535D+02  0.160058D+02 -0.122772D+02
      6  -0.571018D+01  0.124926D+02  0.144975D+02 -0.936307D+01  0.142522D+02
               126           127           128           129           130 
      1  -0.941665D+01 -0.533497D+02  0.219923D+02 -0.455680D+01  0.128363D+02
      2  -0.565798D+01  0.206814D+02 -0.188402D+02  0.696248D+00 -0.103444D+02
      3   0.150746D+02  0.326683D+02 -0.315210D+01  0.386055D+01 -0.249186D+01
      4  -0.126381D+02  0.277004D+02  0.651819D+01 -0.486291D+01  0.126740D+02
      5  -0.222067D+02 -0.579505D+01 -0.178180D+01  0.109796D+02 -0.513358D+01
      6   0.190771D+02 -0.239215D+01  0.795897D+01 -0.583382D+01  0.667889D+01
               131           132           133           134           135 
      1   0.229924D+02 -0.839207D+00  0.373869D+01 -0.235860D+01  0.764774D+01
      2  -0.243247D+02  0.153942D+02 -0.343839D+01  0.120822D+02  0.795822D+01
      3   0.133228D+01 -0.145550D+02 -0.300303D+00 -0.972356D+01 -0.156060D+02
      4   0.470398D+01 -0.413058D+01 -0.154554D+02  0.152582D+01 -0.227045D+02
      5  -0.190715D+00 -0.152346D+02  0.188521D+02 -0.191192D+02 -0.247934D+01
      6   0.875997D+01  0.537099D+01 -0.127464D+02  0.825612D+01 -0.496307D+01
               136           137           138           139           140 
      1   0.468041D+01  0.342388D+01 -0.380172D+01  0.159130D+01 -0.500976D+01
      2  -0.463573D+01 -0.231175D+01  0.226988D+01 -0.140782D+01  0.129474D+01
      3  -0.446779D-01 -0.111212D+01  0.153184D+01 -0.183482D+00  0.371502D+01
      4   0.395683D+01  0.141289D+01 -0.287447D+01  0.434217D+01  0.355331D+01
      5  -0.488036D+01 -0.244187D+01  0.645063D+01 -0.335458D+01 -0.512434D+01
      6  -0.263731D+01 -0.434911D+00 -0.636889D-01 -0.220657D+01 -0.613277D+01
               141           142           143           144           145 
      1   0.347010D+01 -0.369941D+01  0.445487D+01 -0.134060D+02  0.659733D+02
      2  -0.118698D+00  0.807435D+01  0.192203D+01 -0.194993D+02 -0.318797D+02
      3  -0.335140D+01 -0.437494D+01 -0.637690D+01  0.329053D+02 -0.340936D+02
      4  -0.602095D+01 -0.622850D+01 -0.942389D+01  0.120307D+02  0.258582D+02
      5   0.664029D+01  0.157707D+02  0.109350D+02 -0.373122D+02  0.189727D+01
      6   0.107427D+02  0.621020D+01  0.104951D+02 -0.219407D+02  0.833468D+00
               146           147           148           149           150 
      1   0.984957D+01  0.603939D+01  0.561345D+01  0.554842D+01  0.100234D+00
      2  -0.287323D+01 -0.202233D+01 -0.303040D+00 -0.328385D+00  0.127993D+01
      3  -0.697634D+01 -0.401706D+01 -0.531041D+01 -0.522004D+01 -0.138017D+01
      4   0.146198D+02  0.137582D+01  0.124667D+02  0.517767D+01  0.185240D+01
      5  -0.498410D+00  0.932999D+01 -0.286127D+00  0.153590D+01  0.161217D+01
      6  -0.329211D+00  0.255291D+01 -0.325348D+00  0.824552D+00  0.212030D+01
               151           152           153           154           155 
      1   0.159411D+02  0.218451D+01  0.556138D+01 -0.319080D+00  0.498797D+01
      2  -0.768616D+01  0.111356D+01 -0.499716D+01  0.309754D+01 -0.575347D+01
      3  -0.825495D+01 -0.329807D+01 -0.564221D+00 -0.277846D+01  0.765493D+00
      4   0.702052D+01  0.470775D+01  0.424174D+01  0.126871D+01  0.779117D+01
      5   0.100155D+02  0.292596D+01  0.233961D+01 -0.521986D+00 -0.598351D+00
      6   0.271648D+01  0.188819D+01 -0.221731D+00 -0.258669D+01  0.117648D+01
               156           157           158           159           160 
      1  -0.205575D+01 -0.427625D+01 -0.396896D+02  0.725341D+01 -0.116585D+01
      2   0.148455D+01  0.795369D+01  0.643758D+02 -0.113976D+02 -0.145005D+01
      3   0.571202D+00 -0.367744D+01 -0.246862D+02  0.414424D+01  0.261590D+01
      4  -0.165742D+01  0.996157D+01  0.182002D+02 -0.297116D+01 -0.363387D+01
      5   0.289977D+01 -0.129986D+01 -0.272199D+01  0.280898D+01  0.373614D+01
      6   0.110679D+00 -0.224700D+01 -0.153450D+02  0.103383D+02  0.442871D+01
               161           162           163           164           165 
      1   0.134139D+02 -0.835735D+01  0.205500D+01 -0.121962D+01 -0.115552D+00
      2  -0.204475D+02  0.877849D+01 -0.360988D+01  0.135908D+01  0.131040D+00
      3   0.703355D+01 -0.421137D+00  0.155488D+01 -0.139460D+00 -0.154876D-01
      4  -0.598301D+01  0.404127D+01  0.703420D+01  0.679491D+01  0.609806D+01
      5   0.407797D+01 -0.392153D+00  0.688575D+01  0.467795D+01  0.100741D+02
      6   0.151171D+02 -0.619176D+01  0.652292D+01  0.439646D+01  0.682236D+01
               166           167           168           169           170 
      1  -0.430436D+01 -0.108271D+02 -0.476700D+01 -0.424826D+01 -0.112259D+02
      2   0.563708D+01  0.126282D+02  0.387066D+01  0.196483D+00  0.691259D+01
      3  -0.133272D+01 -0.180109D+01  0.896335D+00  0.405178D+01  0.431331D+01
      4   0.502858D+01  0.773398D+01  0.477928D+01  0.120425D+02  0.106104D+02
      5   0.261416D+01  0.476885D+01  0.408660D+01  0.135469D+02  0.115983D+02
      6   0.419864D+01  0.746298D+01  0.923944D+01  0.133927D+02  0.197225D+02
               171           172           173           174           175 
      1  -0.170453D+02  0.361471D+01 -0.107302D+01  0.518724D+01  0.300742D+01
      2   0.117637D+01 -0.367934D+01  0.186608D+01 -0.920829D-01 -0.216433D+01
      3   0.158689D+02  0.646302D-01 -0.793061D+00 -0.509516D+01 -0.843092D+00
      4   0.112965D+02 -0.655937D+00 -0.138565D+01 -0.657712D+00 -0.161734D+01
      5   0.204850D+02  0.211718D+01  0.109309D+01  0.213909D+00  0.448538D+01
      6   0.295501D+02  0.378811D+00 -0.162010D+01  0.190559D+01 -0.731211D+00
               176           177           178           179           180 
      1  -0.472392D+01 -0.313039D+01  0.507951D+01 -0.140659D+01 -0.131482D+02
      2  -0.170231D+00 -0.896922D+01 -0.341035D+01 -0.711550D+01 -0.174968D+02
      3   0.489415D+01  0.120996D+02 -0.166915D+01  0.852209D+01  0.306450D+02
      4   0.595422D+01  0.546245D+01 -0.199131D+01  0.741790D+01  0.744277D+01
      5   0.380749D+01  0.116672D+02  0.660506D+01  0.471418D+01  0.229717D+02
      6   0.199300D+01  0.565689D+00 -0.402800D+00  0.364110D+01 -0.534512D+01
               181           182           183           184           185 
      1   0.767546D+02 -0.134335D+02  0.179761D+01 -0.537311D+01  0.397353D+01
      2  -0.350357D+02  0.252629D+01 -0.317323D+01 -0.626109D+00  0.182827D+01
      3  -0.417189D+02  0.109072D+02  0.137562D+01  0.599922D+01 -0.580180D+01
      4  -0.421285D+02  0.199034D+02 -0.287733D+01  0.141099D+02 -0.909430D+01
      5   0.183678D+02 -0.463230D+01  0.119095D+02 -0.120574D+01  0.159000D+01
      6  -0.331734D+01  0.299865D+01 -0.491281D+01  0.117081D+01 -0.192792D+01
               186           187           188           189           190 
      1   0.110894D+00 -0.611439D+01  0.909502D+00  0.497737D+01 -0.242030D+00
      2  -0.110287D+01  0.102649D+01 -0.178799D+00 -0.446754D+01  0.357715D+01
      3   0.991976D+00  0.508791D+01 -0.730703D+00 -0.509835D+00 -0.333512D+01
      4   0.922670D+00  0.429827D+01 -0.221116D+01 -0.160456D+01 -0.106300D+01
      5  -0.914796D-01  0.836616D+01 -0.518838D+00  0.461020D+00 -0.892358D+00
      6   0.145719D+01 -0.302432D+01  0.123089D+01  0.476231D+00 -0.131138D+01
               191           192           193           194           195 
      1  -0.123255D+02  0.407012D+01 -0.879215D+01 -0.301475D+02  0.787715D+01
      2   0.137541D+02 -0.230002D+01  0.579489D+01  0.433158D+02 -0.765674D+01
      3  -0.142861D+01 -0.177010D+01  0.299726D+01 -0.131684D+02 -0.220417D+00
      4  -0.208040D+01  0.133926D+01  0.626147D+01 -0.246203D+02  0.638079D+01
      5  -0.230342D+00 -0.203536D+01 -0.347685D+01  0.415993D+01 -0.413076D+01
      6  -0.610215D+01  0.440205D+01 -0.887458D+00 -0.187092D+02  0.111551D+02
               196           197           198 
      1   0.764493D+00  0.577734D+01 -0.688853D+01
      2  -0.351213D+00 -0.498620D+01  0.348946D+01
      3  -0.413280D+00 -0.791148D+00  0.339907D+01
      4   0.744109D+00  0.346677D+01 -0.129452D+01
      5   0.840168D+00 -0.193525D+01  0.281620D+01
      6   0.171097D+01  0.921654D+01 -0.486004D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118659D+03      0.175835D+02      0.195643D+02
   aniso      0.555190D+02      0.822707D+01      0.915385D+01
   xx         0.146655D+03      0.217320D+02      0.241802D+02
   yx         0.168329D+01      0.249437D+00      0.277537D+00
   yy         0.124780D+03      0.184904D+02      0.205734D+02
   zx        -0.233682D+01     -0.346281D+00     -0.385290D+00
   zy         0.515670D+01      0.764144D+00      0.850225D+00
   zz         0.845431D+02      0.125280D+02      0.139393D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118659D+03      0.175835D+02      0.195643D+02
   aniso      0.555190D+02      0.822707D+01      0.915385D+01
   xx         0.882337D+02      0.130749D+02      0.145478D+02
   yx        -0.127534D+02     -0.188986D+01     -0.210275D+01
   yy         0.121335D+03      0.179800D+02      0.200055D+02
   zx        -0.149247D+01     -0.221162D+00     -0.246075D+00
   zy        -0.333523D+01     -0.494230D+00     -0.549905D+00
   zz         0.146409D+03      0.216955D+02      0.241395D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-14\Freq\RwB97XD\Gen\C10H12\PIERPA\09-Jul-2021\0\\#P w
 B97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gue
 ss=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.295974,-1.
 028853,-0.128687\C,-2.606029,0.291875,0.183416\C,-0.973478,-1.40911,-0
 .342457\C,0.029531,-0.455263,-0.247794\C,-0.281499,0.868664,0.064239\C
 ,-1.598106,1.247679,0.283733\C,1.52367,-0.639314,-0.39664\C,2.019669,0
 .816964,-0.580832\C,0.972315,1.705463,0.12574\H,-3.088043,-1.762337,-0
 .209833\H,-3.637708,0.578196,0.343549\H,-0.735344,-2.437795,-0.586593\
 H,-1.844116,2.275439,0.52314\H,1.76059,-1.24321,-1.276257\C,2.130571,-
 1.320158,0.83597\H,2.034988,1.060247,-1.645001\H,3.029412,0.962676,-0.
 195614\H,0.857874,2.679448,-0.352616\H,1.250132,1.896413,1.167459\H,1.
 938821,-0.733184,1.737056\H,3.211182,-1.433117,0.725825\H,1.698191,-2.
 310454,0.988755\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4836191\RM
 SD=4.886e-09\RMSF=5.248e-06\ZeroPoint=0.1921718\Thermal=0.2004692\Dipo
 le=0.2282579,0.0459183,-0.0127765\DipoleDeriv=-0.0311354,0.0369779,-0.
 0027796,0.1002657,0.011351,0.0271671,0.0049391,0.0276339,-0.1422782,0.
 0204205,-0.0143791,-0.0280038,-0.0831313,-0.0461065,0.028946,-0.037123
 ,0.0235127,-0.141863,-0.0572241,0.0097003,-0.0162836,-0.0040739,0.1069
 9,0.0579652,-0.0181179,0.0536212,-0.1009364,0.1601963,-0.0565253,0.004
 2734,-0.2212679,-0.1499346,0.0073362,-0.0312718,-0.0060912,-0.1043181,
 0.0256414,0.1429938,0.0070807,0.2649573,0.0170143,-0.0001154,0.1046268
 ,0.0449979,-0.0719923,-0.0347482,-0.0896797,-0.0263031,-0.0578629,0.09
 82136,0.0527137,-0.0262653,0.043089,-0.105795,0.0779047,-0.0493497,-0.
 0021617,0.0207025,0.136373,-0.0009851,-0.0521569,0.0179925,0.1990549,0
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 THIS CURIOUS WORLD WHICH WE INHABIT IS MORE WONDERFUL THAN IT IS CONVENIENT;
 MORE BEAUTIFUL THAN IT IS USEFUL;
 IT IS MORE TO BE ADMIRED THAN IT IS TO BE USED.

                                                                 -- THOREAU
 Job cpu time:       0 days 10 hours 16 minutes 57.5 seconds.
 Elapsed time:       0 days  0 hours 38 minutes 38.3 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 00:29:23 2021.
